CID 513687

Chembl521764

Structural Information

Molecular Formula
C17H17FN2O2S
SMILES
CC1=CC(=NC(=C1)N2C(SCC2=O)C3=C(C=CC=C3F)OC)C
InChI
InChI=1S/C17H17FN2O2S/c1-10-7-11(2)19-14(8-10)20-15(21)9-23-17(20)16-12(18)5-4-6-13(16)22-3/h4-8,17H,9H2,1-3H3
InChIKey
WARRVPIVVUTEQB-UHFFFAOYSA-N
Compound name
3-(4,6-dimethylpyridin-2-yl)-2-(2-fluoro-6-methoxyphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

332.0995 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.10678 175.5
[M+Na]+ 355.08872 186.1
[M-H]- 331.09222 182.5
[M+NH4]+ 350.13332 189.7
[M+K]+ 371.06266 180.4
[M+H-H2O]+ 315.09676 166.3
[M+HCOO]- 377.09770 190.2
[M+CH3COO]- 391.11335 186.8
[M+Na-2H]- 353.07417 172.0
[M]+ 332.09895 178.0
[M]- 332.10005 178.0
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.