CID 513667

Chembl521323

Structural Information

Molecular Formula
C17H16FNO2S
SMILES
CC1=CC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3F)OC
InChI
InChI=1S/C17H16FNO2S/c1-11-5-3-6-12(9-11)19-15(20)10-22-17(19)16-13(18)7-4-8-14(16)21-2/h3-9,17H,10H2,1-2H3
InChIKey
LWICLZQJIZDOBZ-UHFFFAOYSA-N
Compound name
2-(2-fluoro-6-methoxyphenyl)-3-(3-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

317.0886 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09588 171.1
[M+Na]+ 340.07782 181.0
[M-H]- 316.08132 179.3
[M+NH4]+ 335.12242 187.1
[M+K]+ 356.05176 175.5
[M+H-H2O]+ 300.08586 162.6
[M+HCOO]- 362.08680 187.2
[M+CH3COO]- 376.10245 183.0
[M+Na-2H]- 338.06327 168.5
[M]+ 317.08805 172.8
[M]- 317.08915 172.8
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.