CID 486982

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

Structural Information

Molecular Formula
C18H24N2OS
SMILES
CCC1=C(NC(=O)C(=C1CSC2=CC=CC(=C2)C)N(C)C)C
InChI
InChI=1S/C18H24N2OS/c1-6-15-13(3)19-18(21)17(20(4)5)16(15)11-22-14-9-7-8-12(2)10-14/h7-10H,6,11H2,1-5H3,(H,19,21)
InChIKey
FNFAKRPDCHMOFL-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(3-methylphenyl)sulfanylmethyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.16095 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.16823 174.3
[M+Na]+ 339.15017 182.9
[M-H]- 315.15367 180.3
[M+NH4]+ 334.19477 188.6
[M+K]+ 355.12411 177.3
[M+H-H2O]+ 299.15821 166.0
[M+HCOO]- 361.15915 191.1
[M+CH3COO]- 375.17480 213.1
[M+Na-2H]- 337.13562 173.2
[M]+ 316.16040 178.8
[M]- 316.16150 178.8
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.