CID 6478135

5-[(3,4-dichlorophenyl)methylene]-3-[(2-thienylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C14H8Cl2N2O3S4
SMILES
C1=CSC(=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C14H8Cl2N2O3S4/c15-9-4-3-8(6-10(9)16)7-11-13(19)18(14(22)24-11)17-25(20,21)12-2-1-5-23-12/h1-7,17H/b11-7+
InChIKey
AMDNKPSEVFAXTQ-YRNVUSSQSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]thiophene-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.8795 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.88678 206.8
[M+Na]+ 472.86872 217.7
[M-H]- 448.87222 214.2
[M+NH4]+ 467.91332 219.7
[M+K]+ 488.84266 206.9
[M+H-H2O]+ 432.87676 204.4
[M+HCOO]- 494.87770 200.6
[M+CH3COO]- 508.89335 214.3
[M+Na-2H]- 470.85417 203.4
[M]+ 449.87895 208.0
[M]- 449.88005 208.0
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.