CID 486882

Chembl184026

Structural Information

Molecular Formula

C₂₀H₂₈N₂O

SMILES

CCC1=C(NC(=O)C(=C1CC2=C(C=C(C=C2C)C)C)N(C)C)C

InChI

InChI=1S/C20H28N2O/c1-8-16-15(5)21-20(23)19(22(6)7)18(16)11-17-13(3)9-12(2)10-14(17)4/h9-10H,8,11H2,1-7H3,(H,21,23)

InChIKey

ICNCABLPZCSPIN-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-5-ethyl-6-methyl-4-[(2,4,6-trimethylphenyl)methyl]-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 312.22015 Da
Monoisotopic Mass: 3.8
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]+	313.227426	177.0
[M+Na]+	335.209368	186.6
[M-H]-	311.212874	183.5
[M+NH4]+	330.253973	191.5
[M+K]+	351.183308	181.8
[M+H-H2O]+	295.217410	168.8
[M+HCOO]-	357.218351	198.3
[M+CH3COO]-	371.234001	218.1
[M+Na-2H]-	333.194816	176.0
[M]+	312.21960142	180.9
[M]-	312.22069858	180.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.