CID 16728908

Chembl226116

Structural Information

Molecular Formula
C20H15F2N3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F)C4=CC=CC=C4
InChI
InChI=1S/C20H15F2N3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKey
CWQZTHKGSPMMPI-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

383.0904 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 384.09768 188.6
[M+Na]+ 406.07962 199.6
[M-H]- 382.08312 195.9
[M+NH4]+ 401.12422 198.7
[M+K]+ 422.05356 191.1
[M+H-H2O]+ 366.08766 176.5
[M+HCOO]- 428.08860 201.0
[M+CH3COO]- 442.10425 198.2
[M+Na-2H]- 404.06507 184.9
[M]+ 383.08985 187.6
[M]- 383.09095 187.6
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.