CID 583995

61745-68-4

Structural Information

Molecular Formula

C₁₄H₁₁N₃O₂

SMILES

C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3N2)O

InChI

InChI=1S/C14H11N3O2/c18-12-8-4-1-5-9(12)13(19)17-14-15-10-6-2-3-7-11(10)16-14/h1-8,18H,(H2,15,16,17,19)

InChIKey

ONQHWFJTDJGHAS-UHFFFAOYSA-N

Compound name

N-(1H-benzimidazol-2-yl)-2-hydroxybenzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 10
References: 1
Patents: 253.08513 Da
Monoisotopic Mass: 3.0
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	153.7
[M+Na]+	276.07435	162.7
[M-H]-	252.07785	157.1
[M+NH4]+	271.11895	169.1
[M+K]+	292.04829	157.0
[M+H-H2O]+	236.08239	145.7
[M+HCOO]-	298.08333	175.2
[M+CH3COO]-	312.09898	165.5
[M+Na-2H]-	274.05980	160.5
[M]+	253.08458	152.8
[M]-	253.08568	152.8

Literature stripe

literature stripe

Patent stripe

patents stripe