CID 135546482

188106-83-4

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₂

SMILES

C1=CC(=C2C(=C1)NC(=N2)C3=CC=C(C=C3)O)C(=O)N

InChI

InChI=1S/C14H11N3O2/c15-13(19)10-2-1-3-11-12(10)17-14(16-11)8-4-6-9(18)7-5-8/h1-7,18H,(H2,15,19)(H,16,17)

InChIKey

KOUGHMOSYJCJLE-UHFFFAOYSA-N

Compound name

2-(4-hydroxyphenyl)-1H-benzimidazole-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 4
References: 145
Patents: 253.08513 Da
Monoisotopic Mass: 1.7
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]+	254.09241	155.6
[M+Na]+	276.07435	169.1
[M+NH4]+	271.11895	162.6
[M+K]+	292.04829	165.1
[M-H]-	252.07785	158.2
[M+Na-2H]-	274.05980	162.7
[M]+	253.08458	158.0
[M]-	253.08568	158.0

Literature stripe

literature stripe

Patent stripe

patents stripe