CID 491101

2-[4-[2-(benzylamino)-2-oxo-ethoxy]phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Structural Information

Molecular Formula
C29H29N3O4
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC(=O)NCC5=CC=CC=C5
InChI
InChI=1S/C29H29N3O4/c33-27(30-18-20-7-3-1-4-8-20)19-36-24-14-11-21(12-15-24)28-31-25-17-22(29(34)35)13-16-26(25)32(28)23-9-5-2-6-10-23/h1,3-4,7-8,11-17,23H,2,5-6,9-10,18-19H2,(H,30,33)(H,34,35)
InChIKey
ZGHSMWBKKVLHPY-UHFFFAOYSA-N
Compound name
2-[4-[2-(benzylamino)-2-oxoethoxy]phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

483.21582 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 484.22310 214.9
[M+Na]+ 506.20504 217.4
[M-H]- 482.20854 223.6
[M+NH4]+ 501.24964 219.6
[M+K]+ 522.17898 211.1
[M+H-H2O]+ 466.21308 202.3
[M+HCOO]- 528.21402 229.7
[M+CH3COO]- 542.22967 220.7
[M+Na-2H]- 504.19049 213.6
[M]+ 483.21527 213.0
[M]- 483.21637 213.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.