CID 454356

145901-86-6

Structural Information

Molecular Formula

C₁₆H₂₀N₂O

SMILES

CCC1=C(NC(=O)C(=C1)NCC2=CC=CC=C2C)C

InChI

InChI=1S/C16H20N2O/c1-4-13-9-15(16(19)18-12(13)3)17-10-14-8-6-5-7-11(14)2/h5-9,17H,4,10H2,1-3H3,(H,18,19)

InChIKey

FEWQVVPRCKZUTK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 256.15756 Da
Monoisotopic Mass: 3.0
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]+	257.164836	160.4
[M+Na]+	279.146778	168.9
[M-H]-	255.150284	165.0
[M+NH4]+	274.191383	175.7
[M+K]+	295.120718	163.3
[M+H-H2O]+	239.154820	152.4
[M+HCOO]-	301.155761	182.7
[M+CH3COO]-	315.171411	199.0
[M+Na-2H]-	277.132226	164.4
[M]+	256.15701142	160.4
[M]-	256.15810858	160.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.