CID 454373

139548-24-6

Structural Information

Molecular Formula

C₁₉H₂₆N₂O₂

SMILES

CCC1=CC(=C(C=C1C)OC)CNC2=CC(=C(NC2=O)C)CC

InChI

InChI=1S/C19H26N2O2/c1-6-14-9-16(18(23-5)8-12(14)3)11-20-17-10-15(7-2)13(4)21-19(17)22/h8-10,20H,6-7,11H2,1-5H3,(H,21,22)

InChIKey

CLSMMEOPBVDYIA-UHFFFAOYSA-N

Compound name

5-ethyl-3-[(5-ethyl-2-methoxy-4-methylphenyl)methylamino]-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1
Patents: 314.19943 Da
Monoisotopic Mass: 3.7
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]+	315.20671	177.2
[M+Na]+	337.18865	186.0
[M-H]-	313.19215	182.0
[M+NH4]+	332.23325	190.6
[M+K]+	353.16259	180.6
[M+H-H2O]+	297.19669	168.8
[M+HCOO]-	359.19763	198.6
[M+CH3COO]-	373.21328	212.7
[M+Na-2H]-	335.17410	178.2
[M]+	314.19888	180.5
[M]-	314.19998	180.5

Literature stripe

literature stripe

Patent stripe

patents stripe