Browsing Retention Index for different Chemical Structures

Displaying retention index compounds 1801 - 1825 of 1722868 in total
RIpred ID Structure Name Chemical Structure Derivatization Type
Base compound Mass 		GC Column/Stationary Phase Retention Index
RI01722376Entrectinib,1TMS,isomer#3JsmolCN1CCN(C2=CC=C(C(=O)NC3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(N(C3CCOCC3)[Si](C)(C)C)=C2)CC1TMS632.3107Standard non polar4182.586
RI01722375Entrectinib,1TMS,isomer#2JsmolCN1CCN(C2=CC=C(C(=O)NC3=NN([Si](C)(C)C)C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)C(NC3CCOCC3)=C2)CC1TMS632.3107Standard non polar4184.202
RI01722374Entrectinib,1TMS,isomer#1JsmolCN1CCN(C2=CC=C(C(=O)N(C3=N[NH]C4=CC=C(CC5=CC(F)=CC(F)=C5)C=C34)[Si](C)(C)C)C(NC3CCOCC3)=C2)CC1TMS632.3107Standard non polar4182.194
RI01722373Lasmiditan,1TBDMS,isomer#1JsmolCN1CCC(C(=O)C2=CC=CC(N(C(=O)C3=C(F)C=C(F)C=C3F)[Si](C)(C)C(C)(C)C)=N2)CC1TBDMS491.2216Standard polar3446.714
RI01722372Lasmiditan,1TMS,isomer#1JsmolCN1CCC(C(=O)C2=CC=CC(N(C(=O)C3=C(F)C=C(F)C=C3F)[Si](C)(C)C)=N2)CC1TMS449.1746Standard polar3365.0247
RI01722371Lasmiditan,1TBDMS,isomer#1JsmolCN1CCC(C(=O)C2=CC=CC(N(C(=O)C3=C(F)C=C(F)C=C3F)[Si](C)(C)C(C)(C)C)=N2)CC1TBDMS491.2216Semi standard non polar2856.9238
RI01722370Lasmiditan,1TMS,isomer#1JsmolCN1CCC(C(=O)C2=CC=CC(N(C(=O)C3=C(F)C=C(F)C=C3F)[Si](C)(C)C)=N2)CC1TMS449.1746Semi standard non polar2680.1565
RI01722369Lasmiditan,1TBDMS,isomer#1JsmolCN1CCC(C(=O)C2=CC=CC(N(C(=O)C3=C(F)C=C(F)C=C3F)[Si](C)(C)C(C)(C)C)=N2)CC1TBDMS491.2216Standard non polar2655.339
RI01722368Lasmiditan,1TMS,isomer#1JsmolCN1CCC(C(=O)C2=CC=CC(N(C(=O)C3=C(F)C=C(F)C=C3F)[Si](C)(C)C)=N2)CC1TMS449.1746Standard non polar2484.161
RI01722367Alpelisib,3TBDMS,isomer#1JsmolCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C(C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N1TBDMS783.4041Standard polar3783.9844
RI01722366Alpelisib,3TMS,isomer#1JsmolCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C)O[Si](C)(C)C)=N1TMS657.2632Standard polar3649.6587
RI01722365Alpelisib,3TBDMS,isomer#1JsmolCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C(C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N1TBDMS783.4041Semi standard non polar3679.5967
RI01722364Alpelisib,3TMS,isomer#1JsmolCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C)O[Si](C)(C)C)=N1TMS657.2632Semi standard non polar3133.5288
RI01722363Alpelisib,3TBDMS,isomer#1JsmolCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C(C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)=N1TBDMS783.4041Standard non polar3183.5012
RI01722362Alpelisib,3TMS,isomer#1JsmolCC1=C(C2=CC=NC(C(C)(C)C(F)(F)F)=C2)SC(N=C(O[Si](C)(C)C)N2CCC[C@H]2C(=N[Si](C)(C)C)O[Si](C)(C)C)=N1TMS657.2632Standard non polar2705.417
RI01722361Zanubrutinib,3TBDMS,isomer#1JsmolC=CC(=O)N1CCC([C@@H]2CCN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TBDMS813.4865Standard polar5166.1577
RI01722360Zanubrutinib,2TBDMS,isomer#2JsmolC=CC(=O)N1CCC([C@@H]2CCNC3=C(C(=O)N([Si](C)(C)C(C)(C)C)[Si](C)(C)C(C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TBDMS699.4Standard polar5551.843
RI01722359Zanubrutinib,2TBDMS,isomer#1JsmolC=CC(=O)N1CCC([C@@H]2CCN([Si](C)(C)C(C)(C)C)C3=C(C(=O)N[Si](C)(C)C(C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TBDMS699.4Standard polar5356.752
RI01722358Zanubrutinib,1TBDMS,isomer#2JsmolC=CC(=O)N1CCC([C@@H]2CCN([Si](C)(C)C(C)(C)C)C3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TBDMS585.3135Standard polar5717.3584
RI01722357Zanubrutinib,1TBDMS,isomer#1JsmolC=CC(=O)N1CCC([C@@H]2CCNC3=C(C(=O)N[Si](C)(C)C(C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TBDMS585.3135Standard polar5776.7085
RI01722356Zanubrutinib,3TMS,isomer#1JsmolC=CC(=O)N1CCC([C@@H]2CCN([Si](C)(C)C)C3=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TMS687.3456Standard polar5078.0957
RI01722355Zanubrutinib,2TMS,isomer#2JsmolC=CC(=O)N1CCC([C@@H]2CCNC3=C(C(=O)N([Si](C)(C)C)[Si](C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TMS615.3061Standard polar5573.826
RI01722354Zanubrutinib,2TMS,isomer#1JsmolC=CC(=O)N1CCC([C@@H]2CCN([Si](C)(C)C)C3=C(C(=O)N[Si](C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TMS615.3061Standard polar5260.4224
RI01722353Zanubrutinib,1TMS,isomer#2JsmolC=CC(=O)N1CCC([C@@H]2CCN([Si](C)(C)C)C3=C(C(N)=O)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TMS543.2666Standard polar5641.0464
RI01722352Zanubrutinib,1TMS,isomer#1JsmolC=CC(=O)N1CCC([C@@H]2CCNC3=C(C(=O)N[Si](C)(C)C)C(C4=CC=C(OC5=CC=CC=C5)C=C4)=NN32)CC1TMS543.2666Standard polar5749.7505
Displaying retention index compounds 1801 - 1825 of 1722868 in total