CID 513908

Chembl174053

Structural Information

Molecular Formula
C21H20N2O3
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O3/c24-19(14-7-3-1-4-8-14)20-22-17-13-15(21(25)26)11-12-18(17)23(20)16-9-5-2-6-10-16/h1,3-4,7-8,11-13,16H,2,5-6,9-10H2,(H,25,26)
InChIKey
WOILRKOBFRPLGV-UHFFFAOYSA-N
Compound name
2-benzoyl-1-cyclohexylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

348.1474 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.154676 181.7
[M+Na]+ 371.136618 187.4
[M-H]- 347.140124 188.1
[M+NH4]+ 366.181223 193.1
[M+K]+ 387.110558 181.7
[M+H-H2O]+ 331.144660 171.6
[M+HCOO]- 393.145601 197.3
[M+CH3COO]- 407.161251 190.7
[M+Na-2H]- 369.122066 181.7
[M]+ 348.14685142 179.1
[M]- 348.14794858 179.1
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

No patent data available for this compound.