CID 16728918

Chembl225798

Structural Information

Molecular Formula
C15H13Cl2N3OS
SMILES
CC1=CC(=NC(=N1)C)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C15H13Cl2N3OS/c1-8-6-12(19-9(2)18-8)20-13(21)7-22-15(20)14-10(16)4-3-5-11(14)17/h3-6,15H,7H2,1-2H3
InChIKey
VCHQXLUYFOEETB-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(2,6-dimethylpyrimidin-4-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

353.01562 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.02290 178.0
[M+Na]+ 376.00484 190.3
[M-H]- 352.00834 184.3
[M+NH4]+ 371.04944 191.4
[M+K]+ 391.97878 182.7
[M+H-H2O]+ 336.01288 169.9
[M+HCOO]- 398.01382 182.9
[M+CH3COO]- 412.02947 188.8
[M+Na-2H]- 373.99029 174.4
[M]+ 353.01507 182.5
[M]- 353.01617 182.5
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.