CID 16728909

2-(2,6-dichlorophenyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]thiazolidin-4-one

Structural Information

Molecular Formula
C20H12Cl2F3N3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC(=CC(=N3)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C20H12Cl2F3N3OS/c21-12-7-4-8-13(22)17(12)18-28(16(29)10-30-18)19-26-14(11-5-2-1-3-6-11)9-15(27-19)20(23,24)25/h1-9,18H,10H2
InChIKey
FNWZBSYDEOGGJU-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

469.00302 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.01030 202.5
[M+Na]+ 491.99224 214.4
[M-H]- 467.99574 207.8
[M+NH4]+ 487.03684 210.6
[M+K]+ 507.96618 204.6
[M+H-H2O]+ 452.00028 190.1
[M+HCOO]- 514.00122 202.6
[M+CH3COO]- 528.01687 210.4
[M+Na-2H]- 489.97769 198.3
[M]+ 469.00247 203.5
[M]- 469.00357 203.5
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.