CID 5274884

N-benzyl-3-hydroxypicolinamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)CNC(=O)C2=C(C=CC=N2)O

InChI

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

InChIKey

GUHJLBGSLLTBAQ-UHFFFAOYSA-N

Compound name

N-benzyl-3-hydroxypyridine-2-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 228.08987 Da
Monoisotopic Mass: 2.5
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