CID 135446954

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

Structural Information

Molecular Formula
C14H11ClFN3O2S
SMILES
CC1=CC(=O)NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C14H11ClFN3O2S/c1-7-5-10(20)18-14(17-7)19-11(21)6-22-13(19)12-8(15)3-2-4-9(12)16/h2-5,13H,6H2,1H3,(H,17,18,20)
InChIKey
NWMLAXOWIKLSAA-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4-methyl-6-oxo-1H-pyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

339.02444 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.03172 172.8
[M+Na]+ 362.01366 185.2
[M-H]- 338.01716 177.5
[M+NH4]+ 357.05826 185.5
[M+K]+ 377.98760 177.2
[M+H-H2O]+ 322.02170 164.2
[M+HCOO]- 384.02264 181.2
[M+CH3COO]- 398.03829 183.6
[M+Na-2H]- 359.99911 169.8
[M]+ 339.02389 174.3
[M]- 339.02499 174.3
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.