CID 454796

Chembl439655

Structural Information

Molecular Formula

C₁₅H₁₈N₂O

SMILES

CCC1=C(NC(=O)C(=C1)CCC2=CC=CC=N2)C

InChI

InChI=1S/C15H18N2O/c1-3-12-10-13(15(18)17-11(12)2)7-8-14-6-4-5-9-16-14/h4-6,9-10H,3,7-8H2,1-2H3,(H,17,18)

InChIKey

BZSUGNSPDPOGES-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 242.1419 Da
Monoisotopic Mass: 2.1
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]+	243.149176	156.5
[M+Na]+	265.131118	165.4
[M-H]-	241.134624	159.5
[M+NH4]+	260.175723	171.0
[M+K]+	281.105058	159.8
[M+H-H2O]+	225.139160	147.9
[M+HCOO]-	287.140101	176.8
[M+CH3COO]-	301.155751	192.5
[M+Na-2H]-	263.116566	161.5
[M]+	242.14135142	157.0
[M]-	242.14244858	157.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.