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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	294.123696	164.6
[M+Na]+	316.105638	172.5
[M-H]-	292.109144	170.3
[M+NH4]+	311.150243	171.4
[M+K]+	332.079578	170.1
[M+H-H2O]+	276.113680	149.7
[M+HCOO]-	338.114621	182.1
[M+CH3COO]-	352.130271	175.1
[M+Na-2H]-	314.091086	167.9
[M]+	293.11587142	173.6
[M]-	293.11696858	173.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.