CID 6478127

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

Structural Information

Molecular Formula
C11H8Cl2N2O3S3
SMILES
CS(=O)(=O)NN1C(=O)/C(=C\C2=CC(=C(C=C2)Cl)Cl)/SC1=S
InChI
InChI=1S/C11H8Cl2N2O3S3/c1-21(17,18)14-15-10(16)9(20-11(15)19)5-6-2-3-7(12)8(13)4-6/h2-5,14H,1H3/b9-5+
InChIKey
UNWQSTMBUVBKLX-WEVVVXLNSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.9074 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.91468 182.8
[M+Na]+ 404.89662 193.1
[M-H]- 380.90012 187.9
[M+NH4]+ 399.94122 197.0
[M+K]+ 420.87056 183.6
[M+H-H2O]+ 364.90466 179.5
[M+HCOO]- 426.90560 179.8
[M+CH3COO]- 440.92125 210.0
[M+Na-2H]- 402.88207 180.0
[M]+ 381.90685 185.5
[M]- 381.90795 185.5
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.