CID 16728917

Chembl224865

Structural Information

Molecular Formula
C16H15F2N3OS
SMILES
CC1=C(N=C(N=C1C)N2C(SCC2=O)C3=C(C=CC=C3F)F)C
InChI
InChI=1S/C16H15F2N3OS/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
DASQPWOVZRVXCA-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4,5,6-trimethylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.0904 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09768 175.1
[M+Na]+ 358.07962 187.4
[M-H]- 334.08312 179.9
[M+NH4]+ 353.12422 188.2
[M+K]+ 374.05356 180.5
[M+H-H2O]+ 318.08766 164.8
[M+HCOO]- 380.08860 187.5
[M+CH3COO]- 394.10425 186.0
[M+Na-2H]- 356.06507 170.5
[M]+ 335.08985 175.8
[M]- 335.09095 175.8
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.