CID 486976

3-(dimethylamino)-5-ethyl-6-methyl-4-(m-tolylsulfanyl)-1h-pyridin-2-one

Structural Information

Molecular Formula
C17H22N2OS
SMILES
CCC1=C(NC(=O)C(=C1SC2=CC=CC(=C2)C)N(C)C)C
InChI
InChI=1S/C17H22N2OS/c1-6-14-12(3)18-17(20)15(19(4)5)16(14)21-13-9-7-8-11(2)10-13/h7-10H,6H2,1-5H3,(H,18,20)
InChIKey
MBUFDPYVEDOWDT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-(3-methylphenyl)sulfanyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.1453 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.15258 169.9
[M+Na]+ 325.13452 179.0
[M-H]- 301.13802 176.1
[M+NH4]+ 320.17912 184.8
[M+K]+ 341.10846 173.5
[M+H-H2O]+ 285.14256 161.8
[M+HCOO]- 347.14350 187.0
[M+CH3COO]- 361.15915 210.2
[M+Na-2H]- 323.11997 169.3
[M]+ 302.14475 174.1
[M]- 302.14585 174.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.