CID 16728920

Chembl225970

Structural Information

Molecular Formula
C15H13F2N3OS
SMILES
CC1=CC(=NC(=N1)C)N2C(SCC2=O)C3=C(C=CC=C3F)F
InChI
InChI=1S/C15H13F2N3OS/c1-8-6-12(19-9(2)18-8)20-13(21)7-22-15(20)14-10(16)4-3-5-11(14)17/h3-6,15H,7H2,1-2H3
InChIKey
BFXRWLCLSGDKAX-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.07474 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.08202 170.6
[M+Na]+ 344.06396 182.5
[M-H]- 320.06746 175.2
[M+NH4]+ 339.10856 184.0
[M+K]+ 360.03790 175.8
[M+H-H2O]+ 304.07200 160.2
[M+HCOO]- 366.07294 183.4
[M+CH3COO]- 380.08859 181.7
[M+Na-2H]- 342.04941 167.2
[M]+ 321.07419 170.5
[M]- 321.07529 170.5
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.