CID 98499

N-benzylnicotinamide

Structural Information

Molecular Formula

C₁₃H₁₂N₂O

SMILES

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

InChI

InChI=1S/C13H12N2O/c16-13(12-7-4-8-14-10-12)15-9-11-5-2-1-3-6-11/h1-8,10H,9H2,(H,15,16)

InChIKey

JIAOUYONZMRJJD-UHFFFAOYSA-N

Compound name

N-benzylpyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 9
References: 660
Patents: 212.09496 Da
Monoisotopic Mass: 1.5
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]+	213.10224	147.5
[M+Na]+	235.08418	161.5
[M+NH4]+	230.12878	156.1
[M+K]+	251.05812	153.8
[M-H]-	211.08768	152.1
[M+Na-2H]-	233.06963	157.9
[M]+	212.09441	150.8
[M]-	212.09551	150.8

Literature stripe

literature stripe

Patent stripe

patents stripe