CID 110471296

N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC(=CC=C1CNC(=O)C2=CC=NC=C2)O

InChI

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

InChIKey

ZIYRSWSYEYEINL-UHFFFAOYSA-N

Compound name

N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.08987 Da
Monoisotopic Mass: 0.8
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]+	229.097146	149.6
[M+Na]+	251.079088	156.3
[M-H]-	227.082594	153.7
[M+NH4]+	246.123693	165.0
[M+K]+	267.053028	152.5
[M+H-H2O]+	211.087130	141.5
[M+HCOO]-	273.088071	172.2
[M+CH3COO]-	287.103721	188.6
[M+Na-2H]-	249.064536	156.4
[M]+	228.08932142	148.1
[M]-	228.09041858	148.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.