CID 13295731

95306-62-0

Structural Information

Molecular Formula

C₁₃H₁₄N₂O

SMILES

CC1=CNC(=O)C=C1NCC2=CC=CC=C2

InChI

InChI=1S/C13H14N2O/c1-10-8-15-13(16)7-12(10)14-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H2,14,15,16)

InChIKey

MCPLPLJFRYLICR-UHFFFAOYSA-N

Compound name

4-(benzylamino)-5-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 214.11061 Da
Monoisotopic Mass: 1.3
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]+	215.11789	146.5
[M+Na]+	237.09983	154.4
[M-H]-	213.10333	150.8
[M+NH4]+	232.14443	162.8
[M+K]+	253.07377	149.5
[M+H-H2O]+	197.10787	138.6
[M+HCOO]-	259.10881	169.8
[M+CH3COO]-	273.12446	187.5
[M+Na-2H]-	235.08528	153.7
[M]+	214.11006	144.7
[M]-	214.11116	144.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe