CID 16728913

2-(2-chloro-6-fluoro-phenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

Structural Information

Molecular Formula
C25H17ClFN3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)F)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H17ClFN3OS/c26-18-12-7-13-19(27)23(18)24-30(22(31)15-32-24)25-28-20(16-8-3-1-4-9-16)14-21(29-25)17-10-5-2-6-11-17/h1-14,24H,15H2
InChIKey
BLNVRICOAUESKO-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

461.07648 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.08376 209.4
[M+Na]+ 484.06570 219.9
[M-H]- 460.06920 220.2
[M+NH4]+ 479.11030 216.5
[M+K]+ 500.03964 209.6
[M+H-H2O]+ 444.07374 196.6
[M+HCOO]- 506.07468 217.7
[M+CH3COO]- 520.09033 217.7
[M+Na-2H]- 482.05115 205.5
[M]+ 461.07593 210.5
[M]- 461.07703 210.5
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.