CID 513910

Chembl174836

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=NC=C4
InChI
InChI=1S/C19H19N3O2/c23-19(24)14-6-7-17-16(12-14)21-18(13-8-10-20-11-9-13)22(17)15-4-2-1-3-5-15/h6-12,15H,1-5H2,(H,23,24)
InChIKey
CVIRNAAUEWWASE-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-pyridin-4-ylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.14774 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 175.5
[M+Na]+ 344.13696 182.3
[M-H]- 320.14046 180.7
[M+NH4]+ 339.18156 186.9
[M+K]+ 360.11090 176.1
[M+H-H2O]+ 304.14500 164.7
[M+HCOO]- 366.14594 191.0
[M+CH3COO]- 380.16159 184.8
[M+Na-2H]- 342.12241 177.5
[M]+ 321.14719 172.5
[M]- 321.14829 172.5
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.