CID 16728907

2-(2-chloro-6-fluoro-phenyl)-3-(4-methyl-6-phenyl-pyrimidin-2-yl)thiazolidin-4-one

Structural Information

Molecular Formula
C20H15ClFN3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F)C4=CC=CC=C4
InChI
InChI=1S/C20H15ClFN3OS/c1-12-10-16(13-6-3-2-4-7-13)24-20(23-12)25-17(26)11-27-19(25)18-14(21)8-5-9-15(18)22/h2-10,19H,11H2,1H3
InChIKey
OTPCDAXONNMWAO-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4-methyl-6-phenylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

399.06085 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.06813 192.1
[M+Na]+ 422.05007 203.6
[M-H]- 398.05357 200.5
[M+NH4]+ 417.09467 202.5
[M+K]+ 438.02401 194.6
[M+H-H2O]+ 382.05811 181.0
[M+HCOO]- 444.05905 200.8
[M+CH3COO]- 458.07470 201.8
[M+Na-2H]- 420.03552 188.4
[M]+ 399.06030 194.1
[M]- 399.06140 194.1
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.