CID 16728919

Chembl225969

Structural Information

Molecular Formula
C15H13ClFN3OS
SMILES
CC1=CC(=NC(=N1)C)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C15H13ClFN3OS/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
SHKSWMGAIQHEJR-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-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

337.0452 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.05248 174.2
[M+Na]+ 360.03442 186.5
[M-H]- 336.03792 180.0
[M+NH4]+ 355.07902 187.8
[M+K]+ 376.00836 179.1
[M+H-H2O]+ 320.04246 165.0
[M+HCOO]- 382.04340 183.3
[M+CH3COO]- 396.05905 185.3
[M+Na-2H]- 358.01987 170.8
[M]+ 337.04465 177.0
[M]- 337.04575 177.0
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.