CID 6478143

5-[(3,4-dichlorophenyl)methylene]-3-{[(methylethyl)sulfonyl]amino}-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C13H12Cl2N2O3S3
SMILES
CC(C)S(=O)(=O)NN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)Cl)/SC1=S
InChI
InChI=1S/C13H12Cl2N2O3S3/c1-7(2)23(19,20)16-17-12(18)11(22-13(17)21)6-8-3-4-9(14)10(15)5-8/h3-7,16H,1-2H3/b11-6+
InChIKey
JRTSKBXYQZAYRQ-IZZDOVSWSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.93872 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.94600 188.9
[M+Na]+ 432.92794 197.9
[M-H]- 408.93144 193.7
[M+NH4]+ 427.97254 201.9
[M+K]+ 448.90188 188.6
[M+H-H2O]+ 392.93598 185.5
[M+HCOO]- 454.93692 184.4
[M+CH3COO]- 468.95257 216.3
[M+Na-2H]- 430.91339 184.9
[M]+ 409.93817 191.9
[M]- 409.93927 191.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.