CID 52096

73664-82-1

Structural Information

Molecular Formula

C₁₄H₁₄N₂O

SMILES

CC1=C(C=NC=C1)CNC(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H14N2O/c1-11-7-8-15-9-13(11)10-16-14(17)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H,16,17)

InChIKey

AVBTVPUAUIQOJW-UHFFFAOYSA-N

Compound name

N-[(4-methylpyridin-3-yl)methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 4
Patents: 226.11061 Da
Monoisotopic Mass: 2.0
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]+	227.11789	151.8
[M+Na]+	249.09983	165.9
[M+NH4]+	244.14443	160.2
[M+K]+	265.07377	158.2
[M-H]-	225.10333	156.4
[M+Na-2H]-	247.08528	161.7
[M]+	226.11006	155.1
[M]-	226.11116	155.1

Literature stripe

literature stripe

Patent stripe

patents stripe