CID 14137

N-2-pyridylmandelamide hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₂N₂O₂

SMILES

C1=CC=C(C=C1)C(C(=O)NC2=CC=CC=N2)O

InChI

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

InChIKey

FPOGTSHZRWBREI-UHFFFAOYSA-N

Compound name

2-hydroxy-2-phenyl-N-pyridin-2-ylacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 228.08987 Da
Monoisotopic Mass: 1.4
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	150.9
[M+Na]+	251.07909	163.5
[M+NH4]+	246.12369	158.4
[M+K]+	267.05303	157.5
[M-H]-	227.08259	154.3
[M+Na-2H]-	249.06454	159.8
[M]+	228.08932	153.5
[M]-	228.09042	153.5

Literature stripe

literature stripe

Patent stripe

patents stripe