CID 10275464

Chembl204722

Structural Information

Molecular Formula
C26H23ClN2O3
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5Cl
InChI
InChI=1S/C26H23ClN2O3/c27-22-8-4-1-5-19(22)16-32-21-12-9-17(10-13-21)25-28-23-15-18(26(30)31)11-14-24(23)29(25)20-6-2-3-7-20/h1,4-5,8-15,20H,2-3,6-7,16H2,(H,30,31)
InChIKey
HYLHFJNPDAVCHC-UHFFFAOYSA-N
Compound name
2-[4-[(2-chlorophenyl)methoxy]phenyl]-1-cyclopentylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

446.1397 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.14698 207.3
[M+Na]+ 469.12892 215.2
[M-H]- 445.13242 217.6
[M+NH4]+ 464.17352 217.6
[M+K]+ 485.10286 207.3
[M+H-H2O]+ 429.13696 196.9
[M+HCOO]- 491.13790 220.7
[M+CH3COO]- 505.15355 216.0
[M+Na-2H]- 467.11437 203.8
[M]+ 446.13915 210.5
[M]- 446.14025 210.5
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.