CID 16728914

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

Structural Information

Molecular Formula
C25H17F2N3OS
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2F)F)C3=NC(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H17F2N3OS/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
XDUQUVICUMADHK-UHFFFAOYSA-N
Compound name
2-(2,6-difluorophenyl)-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

445.10605 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.11333 206.1
[M+Na]+ 468.09527 216.1
[M-H]- 444.09877 215.8
[M+NH4]+ 463.13987 212.8
[M+K]+ 484.06921 206.1
[M+H-H2O]+ 428.10331 192.3
[M+HCOO]- 490.10425 217.9
[M+CH3COO]- 504.11990 214.2
[M+Na-2H]- 466.08072 202.0
[M]+ 445.10550 204.0
[M]- 445.10660 204.0
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.