CID 16728916

Chembl390110

Structural Information

Molecular Formula
C16H15ClFN3OS
SMILES
CC1=C(N=C(N=C1C)N2C(SCC2=O)C3=C(C=CC=C3Cl)F)C
InChI
InChI=1S/C16H15ClFN3OS/c1-8-9(2)19-16(20-10(8)3)21-13(22)7-23-15(21)14-11(17)5-4-6-12(14)18/h4-6,15H,7H2,1-3H3
InChIKey
FVBYWUYQYWAKNS-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

351.06085 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06813 178.7
[M+Na]+ 374.05007 191.4
[M-H]- 350.05357 184.6
[M+NH4]+ 369.09467 192.0
[M+K]+ 390.02401 183.8
[M+H-H2O]+ 334.05811 169.6
[M+HCOO]- 396.05905 187.4
[M+CH3COO]- 410.07470 189.7
[M+Na-2H]- 372.03552 174.2
[M]+ 351.06030 182.2
[M]- 351.06140 182.2
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.