CID 3012189

Chembl519653

Structural Information

Molecular Formula
C14H10Cl3N3OS
SMILES
CC1=CC(=NC(=N1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl)Cl
InChI
InChI=1S/C14H10Cl3N3OS/c1-7-5-10(17)19-14(18-7)20-11(21)6-22-13(20)12-8(15)3-2-4-9(12)16/h2-5,13H,6H2,1H3
InChIKey
PTZNLQKMDLUTSE-UHFFFAOYSA-N
Compound name
3-(4-chloro-6-methylpyrimidin-2-yl)-2-(2,6-dichlorophenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

372.96103 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.96831 179.3
[M+Na]+ 395.95025 191.4
[M-H]- 371.95375 184.3
[M+NH4]+ 390.99485 191.8
[M+K]+ 411.92419 184.0
[M+H-H2O]+ 355.95829 171.5
[M+HCOO]- 417.95923 179.0
[M+CH3COO]- 431.97488 189.1
[M+Na-2H]- 393.93570 175.2
[M]+ 372.96048 183.3
[M]- 372.96158 183.3
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.