CID 491155
1-cyclohexyl-2-(3-furyl)-n-[(1s)-2-(5-hydroxy-1h-indol-3-yl)-1-(4-pyridyl)ethyl]benzimidazole-5-carboxamide
Structural Information
- Molecular Formula
- C33H31N5O3
- SMILES
- C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)N[C@@H](CC4=CNC5=C4C=C(C=C5)O)C6=CC=NC=C6)N=C2C7=COC=C7
- InChI
- InChI=1S/C33H31N5O3/c39-26-7-8-28-27(18-26)24(19-35-28)17-29(21-10-13-34-14-11-21)37-33(40)22-6-9-31-30(16-22)36-32(23-12-15-41-20-23)38(31)25-4-2-1-3-5-25/h6-16,18-20,25,29,35,39H,1-5,17H2,(H,37,40)/t29-/m0/s1
- InChIKey
- VBMPSRZAFCCKJF-LJAQVGFWSA-N
- Compound name
- 1-cyclohexyl-2-(furan-3-yl)-N-[(1S)-2-(5-hydroxy-1H-indol-3-yl)-1-pyridin-4-ylethyl]benzimidazole-5-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 546.24998 | 218.6 |
[M+Na]+ | 568.23192 | 222.5 |
[M-H]- | 544.23542 | 230.6 |
[M+NH4]+ | 563.27652 | 221.0 |
[M+K]+ | 584.20586 | 216.0 |
[M+H-H2O]+ | 528.23996 | 207.8 |
[M+HCOO]- | 590.24090 | 230.9 |
[M+CH3COO]- | 604.25655 | 224.2 |
[M+Na-2H]- | 566.21737 | 214.1 |
[M]+ | 545.24215 | 217.8 |
[M]- | 545.24325 | 217.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.