CID 3005927

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

Structural Information

Molecular Formula
C17H12Cl2N2O3S3
SMILES
C/C(=C\1/C(=O)N(C(=S)S1)NS(=O)(=O)C2=CC=CC=C2)/C3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O3S3/c1-10(11-7-8-13(18)14(19)9-11)15-16(22)21(17(25)26-15)20-27(23,24)12-5-3-2-4-6-12/h2-9,20H,1H3/b15-10+
InChIKey
RQZHZSVUQYCIGJ-XNTDXEJSSA-N
Compound name
N-[(5E)-5-[1-(3,4-dichlorophenyl)ethylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.93872 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.94600 201.4
[M+Na]+ 480.92794 210.7
[M-H]- 456.93144 209.2
[M+NH4]+ 475.97254 212.5
[M+K]+ 496.90188 200.8
[M+H-H2O]+ 440.93598 197.1
[M+HCOO]- 502.93692 197.7
[M+CH3COO]- 516.95257 223.5
[M+Na-2H]- 478.91339 198.5
[M]+ 457.93817 204.2
[M]- 457.93927 204.2
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.