CID 3024635

2-(2,6-dichlorophenyl)-3-(2-thiazolyl)-4-thiazolidinone

Structural Information

Molecular Formula
C12H8Cl2N2OS2
SMILES
C1C(=O)N(C(S1)C2=C(C=CC=C2Cl)Cl)C3=NC=CS3
InChI
InChI=1S/C12H8Cl2N2OS2/c13-7-2-1-3-8(14)10(7)11-16(9(17)6-19-11)12-15-4-5-18-12/h1-5,11H,6H2
InChIKey
DKAOMRCHWZCVNF-UHFFFAOYSA-N
Compound name
2-(2,6-dichlorophenyl)-3-(1,3-thiazol-2-yl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

329.9455 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.95278 171.3
[M+Na]+ 352.93472 183.9
[M-H]- 328.93822 179.5
[M+NH4]+ 347.97932 189.0
[M+K]+ 368.90866 177.1
[M+H-H2O]+ 312.94276 166.3
[M+HCOO]- 374.94370 174.7
[M+CH3COO]- 388.95935 183.1
[M+Na-2H]- 350.92017 166.1
[M]+ 329.94495 175.7
[M]- 329.94605 175.7
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.