CID 486854

Chembl175655

Structural Information

Molecular Formula

C₂₂H₃₀N₂O

SMILES

CCC1=C(NC(=O)C(=C1CC2=CC(=CC(=C2)C)C)N3CCCCC3)C

InChI

InChI=1S/C22H30N2O/c1-5-19-17(4)23-22(25)21(24-9-7-6-8-10-24)20(19)14-18-12-15(2)11-16(3)13-18/h11-13H,5-10,14H2,1-4H3,(H,23,25)

InChIKey

ZIBGWUFZCISYDF-UHFFFAOYSA-N

Compound name

4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-3-piperidin-1-yl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 338.2358 Da
Monoisotopic Mass: 4.3
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]+	339.243076	186.8
[M+Na]+	361.225018	193.5
[M-H]-	337.228524	192.1
[M+NH4]+	356.269623	197.4
[M+K]+	377.198958	186.4
[M+H-H2O]+	321.233060	176.4
[M+HCOO]-	383.234001	201.5
[M+CH3COO]-	397.249651	214.1
[M+Na-2H]-	359.210466	185.1
[M]+	338.23525142	183.9
[M]-	338.23634858	183.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.