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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.16313 176.4
[M+Na]+ 355.14507 185.5
[M-H]- 331.14857 182.8
[M+NH4]+ 350.18967 190.1
[M+K]+ 371.11901 180.5
[M+H-H2O]+ 315.15311 168.3
[M+HCOO]- 377.15405 192.4
[M+CH3COO]- 391.16970 216.8
[M+Na-2H]- 353.13052 173.7
[M]+ 332.15530 181.5
[M]- 332.15640 181.5
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.