CID 5276006
Schembl13904492
Structural Information
- Molecular Formula
- C37H32N4O4
- SMILES
- COC1=CC(=C(C=C1)C2=CC=C(C=C2)C(=O)N)C3=NC4=C(C=C3)C=C(C=C4)C5=NC6=C(N5C7CCCCC7)C=CC(=C6)C(=O)O
- InChI
- InChI=1S/C37H32N4O4/c1-45-28-14-15-29(22-7-9-23(10-8-22)35(38)42)30(21-28)32-17-11-24-19-25(12-16-31(24)39-32)36-40-33-20-26(37(43)44)13-18-34(33)41(36)27-5-3-2-4-6-27/h7-21,27H,2-6H2,1H3,(H2,38,42)(H,43,44)
- InChIKey
- FKDZBUKPQXAEKP-UHFFFAOYSA-N
- Compound name
- 2-[2-[2-(4-carbamoylphenyl)-5-methoxyphenyl]quinolin-6-yl]-1-cyclohexylbenzimidazole-5-carboxylic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 597.24968 | 243.7 |
[M+Na]+ | 619.23162 | 247.3 |
[M-H]- | 595.23512 | 254.7 |
[M+NH4]+ | 614.27622 | 242.6 |
[M+K]+ | 635.20556 | 239.4 |
[M+H-H2O]+ | 579.23966 | 228.5 |
[M+HCOO]- | 641.24060 | 253.4 |
[M+CH3COO]- | 655.25625 | 247.0 |
[M+Na-2H]- | 617.21707 | 239.6 |
[M]+ | 596.24185 | 241.1 |
[M]- | 596.24295 | 241.1 |
Literature stripe
No literature data available for this compound.