CID 6478085

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

Structural Information

Molecular Formula
C18H16N2O3S3
SMILES
CC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3)C
InChI
InChI=1S/C18H16N2O3S3/c1-12-8-9-14(10-13(12)2)11-16-17(21)20(18(24)25-16)19-26(22,23)15-6-4-3-5-7-15/h3-11,19H,1-2H3/b16-11+
InChIKey
SQNLFCVBNSTXSV-LFIBNONCSA-N
Compound name
N-[(5E)-5-[(3,4-dimethylphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.03232 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.03960 194.3
[M+Na]+ 427.02154 203.5
[M-H]- 403.02504 201.7
[M+NH4]+ 422.06614 206.1
[M+K]+ 442.99548 193.7
[M+H-H2O]+ 387.02958 187.7
[M+HCOO]- 449.03052 200.2
[M+CH3COO]- 463.04617 218.5
[M+Na-2H]- 425.00699 192.4
[M]+ 404.03177 194.9
[M]- 404.03287 194.9
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.