CID 10158598

Chembl206461

Structural Information

Molecular Formula
C26H24N2O3
SMILES
C1CCC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=C(C=C4)OCC5=CC=CC=C5
InChI
InChI=1S/C26H24N2O3/c29-26(30)20-12-15-24-23(16-20)27-25(28(24)21-8-4-5-9-21)19-10-13-22(14-11-19)31-17-18-6-2-1-3-7-18/h1-3,6-7,10-16,21H,4-5,8-9,17H2,(H,29,30)
InChIKey
MOBWPWFLKIDCCI-UHFFFAOYSA-N
Compound name
1-cyclopentyl-2-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

23
Patents

412.17868 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.18596 198.6
[M+Na]+ 435.16790 204.8
[M-H]- 411.17140 208.9
[M+NH4]+ 430.21250 209.1
[M+K]+ 451.14184 198.2
[M+H-H2O]+ 395.17594 188.0
[M+HCOO]- 457.17688 216.7
[M+CH3COO]- 471.19253 207.5
[M+Na-2H]- 433.15335 196.4
[M]+ 412.17813 198.9
[M]- 412.17923 198.9
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