CID 16098653
Chembl412476
Structural Information
- Molecular Formula
- C37H43N7O3
- SMILES
- C1CCC(C1)OC(=O)N[C@@H](CC2=CC=CC=C2)[C@H](CC3=CC=CC=C3)N4C=C(N=N4)CN5CCC(CC5)N6C7=CC=CC=C7NC6=O
- InChI
- InChI=1S/C37H43N7O3/c45-36-38-32-17-9-10-18-34(32)44(36)30-19-21-42(22-20-30)25-29-26-43(41-40-29)35(24-28-13-5-2-6-14-28)33(23-27-11-3-1-4-12-27)39-37(46)47-31-15-7-8-16-31/h1-6,9-14,17-18,26,30-31,33,35H,7-8,15-16,19-25H2,(H,38,45)(H,39,46)/t33-,35-/m0/s1
- InChIKey
- JZVROWXMESBKDG-LRHLLKFHSA-N
- Compound name
- cyclopentyl N-[(2S,3S)-3-[4-[[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]methyl]triazol-1-yl]-1,4-diphenylbutan-2-yl]carbamate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 634.34998 | 233.8 |
[M+Na]+ | 656.33192 | 231.7 |
[M-H]- | 632.33542 | 244.2 |
[M+NH4]+ | 651.37652 | 229.9 |
[M+K]+ | 672.30586 | 224.8 |
[M+H-H2O]+ | 616.33996 | 219.4 |
[M+HCOO]- | 678.34090 | 241.0 |
[M+CH3COO]- | 692.35655 | 235.4 |
[M+Na-2H]- | 654.31737 | 224.9 |
[M]+ | 633.34215 | 228.9 |
[M]- | 633.34325 | 228.9 |
Literature stripe
Patent stripe
No patent data available for this compound.