CID 3012188

Chembl485873

Structural Information

Molecular Formula
C14H11ClFN3OS
SMILES
CC1=NC(=NC=C1)N2C(SCC2=O)C3=C(C=CC=C3Cl)F
InChI
InChI=1S/C14H11ClFN3OS/c1-8-5-6-17-14(18-8)19-11(20)7-21-13(19)12-9(15)3-2-4-10(12)16/h2-6,13H,7H2,1H3
InChIKey
RZBCOPTXFLVQFP-UHFFFAOYSA-N
Compound name
2-(2-chloro-6-fluorophenyl)-3-(4-methylpyrimidin-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

323.02954 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.03682 169.6
[M+Na]+ 346.01876 181.6
[M-H]- 322.02226 175.2
[M+NH4]+ 341.06336 183.5
[M+K]+ 361.99270 174.4
[M+H-H2O]+ 306.02680 160.3
[M+HCOO]- 368.02774 179.1
[M+CH3COO]- 382.04339 180.9
[M+Na-2H]- 344.00421 167.4
[M]+ 323.02899 171.7
[M]- 323.03009 171.7
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.