CID 16728007

Chembl244281

Structural Information

Molecular Formula
C13H11Cl2N3OS2
SMILES
CCC1=NN=C(S1)N2C(SCC2=O)C3=C(C=CC=C3Cl)Cl
InChI
InChI=1S/C13H11Cl2N3OS2/c1-2-9-16-17-13(21-9)18-10(19)6-20-12(18)11-7(14)4-3-5-8(11)15/h3-5,12H,2,6H2,1H3
InChIKey
HXUUGNZDLMIMCN-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

358.97205 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.97933 178.1
[M+Na]+ 381.96127 190.8
[M-H]- 357.96477 185.1
[M+NH4]+ 377.00587 193.6
[M+K]+ 397.93521 183.9
[M+H-H2O]+ 341.96931 172.3
[M+HCOO]- 403.97025 179.8
[M+CH3COO]- 417.98590 189.0
[M+Na-2H]- 379.94672 171.6
[M]+ 358.97150 183.4
[M]- 358.97260 183.4
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.