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

21
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.