CID 491114

Chembl174683

Structural Information

Molecular Formula
C19H19N3O2
SMILES
C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=N4
InChI
InChI=1S/C19H19N3O2/c23-19(24)13-9-10-17-16(12-13)21-18(15-8-4-5-11-20-15)22(17)14-6-2-1-3-7-14/h4-5,8-12,14H,1-3,6-7H2,(H,23,24)
InChIKey
VJHUUUYKIKSXKH-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

19
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

literature stripe

Patent stripe

patents stripe