CID 778091

57786-42-2

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C(=C1)C(=O)NCC2=CC=CC=N2)O

InChI

InChI=1S/C13H12N2O2/c16-12-7-2-1-6-11(12)13(17)15-9-10-5-3-4-8-14-10/h1-8,16H,9H2,(H,15,17)

InChIKey

UETKAFXUXVMKPJ-UHFFFAOYSA-N

Compound name

2-hydroxy-N-(pyridin-2-ylmethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 228.08987 Da
Monoisotopic Mass: 1.9
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]+	229.09715	149.6
[M+Na]+	251.07909	156.3
[M-H]-	227.08259	153.7
[M+NH4]+	246.12369	165.0
[M+K]+	267.05303	152.5
[M+H-H2O]+	211.08713	141.5
[M+HCOO]-	273.08807	172.2
[M+CH3COO]-	287.10372	188.6
[M+Na-2H]-	249.06454	156.4
[M]+	228.08932	148.1
[M]-	228.09042	148.1

Literature stripe

literature stripe

Patent stripe

patents stripe