CID 454794

Chembl353328

Structural Information

Molecular Formula

C₁₆H₁₉NO

SMILES

CCC1=C(NC(=O)C(=C1)CCC2=CC=CC=C2)C

InChI

InChI=1S/C16H19NO/c1-3-14-11-15(16(18)17-12(14)2)10-9-13-7-5-4-6-8-13/h4-8,11H,3,9-10H2,1-2H3,(H,17,18)

InChIKey

RWEXZYPUDQKVSX-UHFFFAOYSA-N

Compound name

5-ethyl-6-methyl-3-(2-phenylethyl)-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 241.14667 Da
Monoisotopic Mass: 3.2
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]+	242.153946	155.9
[M+Na]+	264.135888	164.3
[M-H]-	240.139394	160.1
[M+NH4]+	259.180493	171.8
[M+K]+	280.109828	158.8
[M+H-H2O]+	224.143930	148.0
[M+HCOO]-	286.144871	177.2
[M+CH3COO]-	300.160521	192.8
[M+Na-2H]-	262.121336	160.3
[M]+	241.14612142	156.2
[M]-	241.14721858	156.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.