CID 486986

3-(dimethylamino)-4-(3,5-dimethylphenyl)sulfinyl-5-ethyl-6-methyl-1h-pyridin-2-one

Structural Information

Molecular Formula

C₁₈H₂₄N₂O₂S

SMILES

CCC1=C(NC(=O)C(=C1S(=O)C2=CC(=CC(=C2)C)C)N(C)C)C

InChI

InChI=1S/C18H24N2O2S/c1-7-15-13(4)19-18(21)16(20(5)6)17(15)23(22)14-9-11(2)8-12(3)10-14/h8-10H,7H2,1-6H3,(H,19,21)

InChIKey

NQIYKAGRPUUSET-UHFFFAOYSA-N

Compound name

3-(dimethylamino)-4-(3,5-dimethylphenyl)sulfinyl-5-ethyl-6-methyl-1H-pyridin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 332.15585 Da
Monoisotopic Mass: 2.5
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]+	333.163126	176.4
[M+Na]+	355.145068	185.5
[M-H]-	331.148574	182.8
[M+NH4]+	350.189673	190.1
[M+K]+	371.119008	180.5
[M+H-H2O]+	315.153110	168.3
[M+HCOO]-	377.154051	192.4
[M+CH3COO]-	391.169701	216.8
[M+Na-2H]-	353.130516	173.7
[M]+	332.15530142	181.5
[M]-	332.15639858	181.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.