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

20
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

literature stripe

Patent stripe

patents stripe