RI01721926 | Umbralisib,1TMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C)=C23)C=C1F | TMS | 643.2227 | Standard polar | 5603.644 |
RI01721925 | Umbralisib,2TBDMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C23)C=C1F | TBDMS | 799.3561 | Semi standard non polar | 4739.159 |
RI01721924 | Umbralisib,1TBDMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C(C)(C)C)=C23)C=C1F | TBDMS | 685.2696 | Semi standard non polar | 4685.884 |
RI01721923 | Umbralisib,2TMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N([Si](C)(C)C)[Si](C)(C)C)=C23)C=C1F | TMS | 715.2622 | Semi standard non polar | 4419.9844 |
RI01721922 | Umbralisib,1TMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C)=C23)C=C1F | TMS | 643.2227 | Semi standard non polar | 4558.5923 |
RI01721921 | Umbralisib,2TBDMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)=C23)C=C1F | TBDMS | 799.3561 | Standard non polar | 4348.9155 |
RI01721920 | Umbralisib,1TBDMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C(C)(C)C)=C23)C=C1F | TBDMS | 685.2696 | Standard non polar | 4240.212 |
RI01721919 | Umbralisib,2TMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N([Si](C)(C)C)[Si](C)(C)C)=C23)C=C1F | TMS | 715.2622 | Standard non polar | 3980.1301 |
RI01721918 | Umbralisib,1TMS,isomer#1 | JsmolCC(C)OC1=CC=C(C2=NN([C@@H](C)C3=C(C4=CC=CC(F)=C4)C(=O)C4=CC(F)=CC=C4O3)C3=NC=NC(N[Si](C)(C)C)=C23)C=C1F | TMS | 643.2227 | Standard non polar | 4117.109 |
RI01721917 | Tivozanib,2TBDMS,isomer#1 | JsmolCOC1=CC2=NC=CC(OC3=CC=C(N=C(N=C4C=C(C)ON4[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(Cl)=C3)=C2C=C1OC | TBDMS | 682.2774 | Standard polar | 5295.793 |
RI01721916 | Tivozanib,2TMS,isomer#1 | JsmolCOC1=CC2=NC=CC(OC3=CC=C(N=C(N=C4C=C(C)ON4[Si](C)(C)C)O[Si](C)(C)C)C(Cl)=C3)=C2C=C1OC | TMS | 598.1835 | Standard polar | 5448.434 |
RI01721915 | Tivozanib,2TBDMS,isomer#1 | JsmolCOC1=CC2=NC=CC(OC3=CC=C(N=C(N=C4C=C(C)ON4[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(Cl)=C3)=C2C=C1OC | TBDMS | 682.2774 | Semi standard non polar | 4193.3374 |
RI01721914 | Tivozanib,2TMS,isomer#1 | JsmolCOC1=CC2=NC=CC(OC3=CC=C(N=C(N=C4C=C(C)ON4[Si](C)(C)C)O[Si](C)(C)C)C(Cl)=C3)=C2C=C1OC | TMS | 598.1835 | Semi standard non polar | 3855.3425 |
RI01721913 | Tivozanib,2TBDMS,isomer#1 | JsmolCOC1=CC2=NC=CC(OC3=CC=C(N=C(N=C4C=C(C)ON4[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)C(Cl)=C3)=C2C=C1OC | TBDMS | 682.2774 | Standard non polar | 3897.3552 |
RI01721912 | Tivozanib,2TMS,isomer#1 | JsmolCOC1=CC2=NC=CC(OC3=CC=C(N=C(N=C4C=C(C)ON4[Si](C)(C)C)O[Si](C)(C)C)C(Cl)=C3)=C2C=C1OC | TMS | 598.1835 | Standard non polar | 3597.4697 |
RI01721911 | Serdexmethylphenidate,2TBDMS,isomer#1 | JsmolCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 727.3684 | Standard polar | 4925.2363 |
RI01721910 | Serdexmethylphenidate,2TMS,isomer#1 | JsmolCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)=C1 | TMS | 643.2745 | Standard polar | 4923.8 |
RI01721909 | Serdexmethylphenidate,2TBDMS,isomer#1 | JsmolCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 727.3684 | Semi standard non polar | 3979.5525 |
RI01721908 | Serdexmethylphenidate,2TMS,isomer#1 | JsmolCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)=C1 | TMS | 643.2745 | Semi standard non polar | 3620.2292 |
RI01721907 | Serdexmethylphenidate,2TBDMS,isomer#1 | JsmolCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C(C)(C)C)C(=O)[O-])[Si](C)(C)C(C)(C)C)=C1 | TBDMS | 727.3684 | Standard non polar | 3817.289 |
RI01721906 | Serdexmethylphenidate,2TMS,isomer#1 | JsmolCOC(=O)[C@H](C1=CC=CC=C1)[C@H]1CCCCN1C(=O)OC[N+]1=CC=CC(C(=O)N([C@@H](CO[Si](C)(C)C)C(=O)[O-])[Si](C)(C)C)=C1 | TMS | 643.2745 | Standard non polar | 3464.4888 |
RI01721905 | Piflufolastat F 18 ,4TBDMS,isomer#15 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CCC(=O)O)N(C(=O)N([C@@H](CCCCN(C(=O)C1=CC=C([18F])N=C1)[Si](C)(C)C(C)(C)C)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 897.4984 | Standard polar | 4599.067 |
RI01721904 | Piflufolastat F 18 ,4TBDMS,isomer#14 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)C1=CC=C([18F])N=C1)[Si](C)(C)C(C)(C)C)N(C(=O)N([C@@H](CCC(=O)O)C(=O)O)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 897.4984 | Standard polar | 4581.255 |
RI01721903 | Piflufolastat F 18 ,4TBDMS,isomer#13 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCNC(=O)C1=CC=C([18F])N=C1)N(C(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 897.4984 | Standard polar | 4495.0156 |
RI01721902 | Piflufolastat F 18 ,4TBDMS,isomer#12 | JsmolCC(C)(C)[Si](C)(C)OC(=O)[C@H](CCCCN(C(=O)C1=CC=C([18F])N=C1)[Si](C)(C)C(C)(C)C)NC(=O)N([C@@H](CCC(=O)O)C(=O)O[Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C | TBDMS | 897.4984 | Standard polar | 4581.601 |