CID 513674

2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyridin-2-yl)-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C16H14ClFN2OS
SMILES
CC1=CC(=NC=C1)N2C(SCC2=O)C3=C(C=CC(=C3Cl)C)F
InChI
InChI=1S/C16H14ClFN2OS/c1-9-5-6-19-12(7-9)20-13(21)8-22-16(20)14-11(18)4-3-10(2)15(14)17/h3-7,16H,8H2,1-2H3
InChIKey
XFUSFMIEANONFB-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluoro-3-methylphenyl)-3-(4-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

336.04993 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05721 174.3
[M+Na]+ 359.03915 186.2
[M-H]- 335.04265 181.3
[M+NH4]+ 354.08375 189.4
[M+K]+ 375.01309 178.8
[M+H-H2O]+ 319.04719 165.8
[M+HCOO]- 381.04813 184.4
[M+CH3COO]- 395.06378 185.8
[M+Na-2H]- 357.02460 170.6
[M]+ 336.04938 177.1
[M]- 336.05048 177.1
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

No patent data available for this compound.