CID 6478100

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

Structural Information

Molecular Formula
C17H12Cl2N2O4S3
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC(=C(C=C3)Cl)Cl)/SC2=S
InChI
InChI=1S/C17H12Cl2N2O4S3/c1-25-11-3-5-12(6-4-11)28(23,24)20-21-16(22)15(27-17(21)26)9-10-2-7-13(18)14(19)8-10/h2-9,20H,1H3/b15-9+
InChIKey
WVJCUCHVCCWAGA-OQLLNIDSSA-N
Compound name
N-[(5E)-5-[(3,4-dichlorophenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.93362 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.94090 205.4
[M+Na]+ 496.92284 215.2
[M-H]- 472.92634 213.3
[M+NH4]+ 491.96744 215.9
[M+K]+ 512.89678 205.4
[M+H-H2O]+ 456.93088 200.9
[M+HCOO]- 518.93182 202.8
[M+CH3COO]- 532.94747 226.0
[M+Na-2H]- 494.90829 203.0
[M]+ 473.93307 210.1
[M]- 473.93417 210.1
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.