CID 16728912

2-(2,6-dichlorophenyl)-3-(4,6-diphenylpyrimidin-2-yl)thiazolidin-4-one

Structural Information

Molecular Formula
C25H17Cl2N3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H17Cl2N3OS/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
ZTKIWUHLKCBLTQ-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-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

477.04694 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.05422 212.2
[M+Na]+ 500.03616 222.7
[M-H]- 476.03966 223.4
[M+NH4]+ 495.08076 219.2
[M+K]+ 516.01010 212.6
[M+H-H2O]+ 460.04420 200.3
[M+HCOO]- 522.04514 216.3
[M+CH3COO]- 536.06079 220.1
[M+Na-2H]- 498.02161 208.1
[M]+ 477.04639 215.4
[M]- 477.04749 215.4
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.