CID 513897

Chembl175685

Structural Information

Molecular Formula
C17H15N3O2
SMILES
C1CC(C1)N2C3=C(C=C(C=C3)C(=O)O)N=C2C4=CC=CC=N4
InChI
InChI=1S/C17H15N3O2/c21-17(22)11-7-8-15-14(10-11)19-16(13-6-1-2-9-18-13)20(15)12-4-3-5-12/h1-2,6-10,12H,3-5H2,(H,21,22)
InChIKey
DDZUVDCKMORULN-UHFFFAOYSA-N
Compound name
1-cyclobutyl-2-pyridin-2-ylbenzimidazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 164.6
[M+Na]+ 316.10564 172.5
[M-H]- 292.10914 170.3
[M+NH4]+ 311.15024 171.4
[M+K]+ 332.07958 170.1
[M+H-H2O]+ 276.11368 149.7
[M+HCOO]- 338.11462 182.1
[M+CH3COO]- 352.13027 175.1
[M+Na-2H]- 314.09109 167.9
[M]+ 293.11587 173.6
[M]- 293.11697 173.6
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.