CID 513677

Chembl520453

Structural Information

Molecular Formula
C16H15FN2O2S
SMILES
CC1=NC(=CC=C1)N2C(SCC2=O)C3=C(C=CC=C3F)OC
InChI
InChI=1S/C16H15FN2O2S/c1-10-5-3-8-13(18-10)19-14(20)9-22-16(19)15-11(17)6-4-7-12(15)21-2/h3-8,16H,9H2,1-2H3
InChIKey
IFPUJNLEWSPVFT-UHFFFAOYSA-N
Compound name
2-(2-fluoro-6-methoxyphenyl)-3-(6-methylpyridin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.08383 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.09111 171.1
[M+Na]+ 341.07305 181.4
[M-H]- 317.07655 178.0
[M+NH4]+ 336.11765 185.7
[M+K]+ 357.04699 175.9
[M+H-H2O]+ 301.08109 161.9
[M+HCOO]- 363.08203 186.2
[M+CH3COO]- 377.09768 182.6
[M+Na-2H]- 339.05850 168.8
[M]+ 318.08328 172.9
[M]- 318.08438 172.9
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.