CID 16072887

Chembl213078

Structural Information

Molecular Formula
C21H22N2O3
SMILES
COC1=CC=C(C=C1)C2=NC3=C(N2C4CCCCC4)C=CC(=C3)C(=O)O
InChI
InChI=1S/C21H22N2O3/c1-26-17-10-7-14(8-11-17)20-22-18-13-15(21(24)25)9-12-19(18)23(20)16-5-3-2-4-6-16/h7-13,16H,2-6H2,1H3,(H,24,25)
InChIKey
JMZLISOHAMKGLQ-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-(4-methoxyphenyl)benzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

350.16306 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.17034 183.2
[M+Na]+ 373.15228 189.9
[M-H]- 349.15578 189.9
[M+NH4]+ 368.19688 195.1
[M+K]+ 389.12622 184.3
[M+H-H2O]+ 333.16032 173.1
[M+HCOO]- 395.16126 199.6
[M+CH3COO]- 409.17691 192.7
[M+Na-2H]- 371.13773 183.6
[M]+ 350.16251 182.3
[M]- 350.16361 182.3
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.