CID 454362

145901-92-4

Structural Information

Molecular Formula

C₁₆H₂₀N₂O₂

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=CC(=CC=C2)OC)C

InChI

InChI=1S/C16H20N2O2/c1-4-13-9-15(16(19)18-11(13)2)17-10-12-6-5-7-14(8-12)20-3/h5-9,17H,4,10H2,1-3H3,(H,18,19)

InChIKey

KLRXTTMCXPTAGO-UHFFFAOYSA-N

Compound name

5-ethyl-3-[(3-methoxyphenyl)methylamino]-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 272.15247 Da
Monoisotopic Mass: 2.6
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]+	273.159746	163.6
[M+Na]+	295.141688	171.9
[M-H]-	271.145194	168.2
[M+NH4]+	290.186293	178.1
[M+K]+	311.115628	167.0
[M+H-H2O]+	255.149730	155.3
[M+HCOO]-	317.150671	186.1
[M+CH3COO]-	331.166321	201.1
[M+Na-2H]-	293.127136	167.6
[M]+	272.15192142	165.0
[M]-	272.15301858	165.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.