CID 464595

172469-99-7

Structural Information

Molecular Formula
C16H18N2O2S
SMILES
CC1=CC(=CC(=C1)SC2=C(C(=O)NC=C2C)NC(=O)C)C
InChI
InChI=1S/C16H18N2O2S/c1-9-5-10(2)7-13(6-9)21-15-11(3)8-17-16(20)14(15)18-12(4)19/h5-8H,1-4H3,(H,17,20)(H,18,19)
InChIKey
FATTXJGHNGENGH-UHFFFAOYSA-N
Compound name
N-[4-(3,5-dimethylphenyl)sulfanyl-5-methyl-2-oxo-1H-pyridin-3-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

302.1089 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.11618 168.7
[M+Na]+ 325.09812 177.9
[M-H]- 301.10162 173.7
[M+NH4]+ 320.14272 182.7
[M+K]+ 341.07206 171.8
[M+H-H2O]+ 285.10616 161.0
[M+HCOO]- 347.10710 185.0
[M+CH3COO]- 361.12275 205.5
[M+Na-2H]- 323.08357 168.3
[M]+ 302.10835 171.3
[M]- 302.10945 171.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe