CID 6478099

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

Structural Information

Molecular Formula
C17H12Cl2N2O3S3
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C17H12Cl2N2O3S3/c1-10-2-5-12(6-3-10)27(23,24)20-21-16(22)15(26-17(21)25)9-11-4-7-13(18)14(19)8-11/h2-9,20H,1H3/b15-9+
InChIKey
KXVYIEKCJRNZPM-OQLLNIDSSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.93872 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.94600 202.9
[M+Na]+ 480.92794 213.1
[M-H]- 456.93144 210.7
[M+NH4]+ 475.97254 214.2
[M+K]+ 496.90188 202.6
[M+H-H2O]+ 440.93598 198.4
[M+HCOO]- 502.93692 200.0
[M+CH3COO]- 516.95257 223.9
[M+Na-2H]- 478.91339 199.8
[M]+ 457.93817 206.3
[M]- 457.93927 206.3
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.