CID 6478090

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

Structural Information

Molecular Formula
C16H10Cl2N2O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C16H10Cl2N2O3S3/c17-12-7-6-10(8-13(12)18)9-14-15(21)20(16(24)25-14)19-26(22,23)11-4-2-1-3-5-11/h1-9,19H/b14-9+
InChIKey
JHOKDMLFGOIBRC-NTEUORMPSA-N
Compound name
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

1
References

0
Patents

443.92307 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.93035 199.3
[M+Na]+ 466.91229 209.5
[M-H]- 442.91579 207.1
[M+NH4]+ 461.95689 211.0
[M+K]+ 482.88623 199.1
[M+H-H2O]+ 426.92033 194.8
[M+HCOO]- 488.92127 196.8
[M+CH3COO]- 502.93692 207.5
[M+Na-2H]- 464.89774 197.1
[M]+ 443.92252 202.0
[M]- 443.92362 202.0
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.