CID 6478101

4-chloro-n-[(5e)-5-[(3,4-dichlorophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C16H9Cl3N2O3S3
SMILES
C1=CC(=CC=C1S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S)Cl
InChI
InChI=1S/C16H9Cl3N2O3S3/c17-10-2-4-11(5-3-10)27(23,24)20-21-15(22)14(26-16(21)25)8-9-1-6-12(18)13(19)7-9/h1-8,20H/b14-8+
InChIKey
GMZNMROLSDNBBJ-RIYZIHGNSA-N
Compound name
4-chloro-N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.8841 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.89138 204.4
[M+Na]+ 500.87332 214.5
[M-H]- 476.87682 211.6
[M+NH4]+ 495.91792 215.1
[M+K]+ 516.84726 204.6
[M+H-H2O]+ 460.88136 200.9
[M+HCOO]- 522.88230 197.0
[M+CH3COO]- 536.89795 211.7
[M+Na-2H]- 498.85877 200.9
[M]+ 477.88355 207.5
[M]- 477.88465 207.5
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.