CID 6478126

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

Structural Information

Molecular Formula
C18H14Cl2N2O3S3
SMILES
CC1=CC(=C(C=C1)C)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C18H14Cl2N2O3S3/c1-10-3-4-11(2)16(7-10)28(24,25)21-22-17(23)15(27-18(22)26)9-12-5-6-13(19)14(20)8-12/h3-9,21H,1-2H3/b15-9+
InChIKey
MELDDIIXCCIEDB-OQLLNIDSSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-2,5-dimethylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.95438 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.96166 206.3
[M+Na]+ 494.94360 216.7
[M-H]- 470.94710 214.3
[M+NH4]+ 489.98820 217.2
[M+K]+ 510.91754 206.1
[M+H-H2O]+ 454.95164 201.9
[M+HCOO]- 516.95258 203.0
[M+CH3COO]- 530.96823 227.9
[M+Na-2H]- 492.92905 202.4
[M]+ 471.95383 210.4
[M]- 471.95493 210.4
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.