CID 16728905

Chembl376385

Structural Information

Molecular Formula
C15H10F5N3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3F)F)C(F)(F)F
InChI
InChI=1S/C15H10F5N3OS/c1-7-5-10(15(18,19)20)22-14(21-7)23-11(24)6-25-13(23)12-8(16)3-2-4-9(12)17/h2-5,13H,6H2,1H3
InChIKey
VIFULZIJWNLPMR-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-3-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.04648 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.05376 180.0
[M+Na]+ 398.03570 192.2
[M-H]- 374.03920 180.7
[M+NH4]+ 393.08030 190.9
[M+K]+ 414.00964 184.6
[M+H-H2O]+ 358.04374 167.2
[M+HCOO]- 420.04468 187.9
[M+CH3COO]- 434.06033 214.6
[M+Na-2H]- 396.02115 175.8
[M]+ 375.04593 176.0
[M]- 375.04703 176.0
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.