CID 6478114

N-[(5e)-5-[(4-cyanophenyl)methylene]-4-oxo-2-thioxo-thiazolidin-3-yl]benzenesulfonamide

Structural Information

Molecular Formula
C17H11N3O3S3
SMILES
C1=CC=C(C=C1)S(=O)(=O)NN2C(=O)/C(=C\C3=CC=C(C=C3)C#N)/SC2=S
InChI
InChI=1S/C17H11N3O3S3/c18-11-13-8-6-12(7-9-13)10-15-16(21)20(17(24)25-15)19-26(22,23)14-4-2-1-3-5-14/h1-10,19H/b15-10+
InChIKey
YRYISTFZHCUCJS-XNTDXEJSSA-N
Compound name
N-[(5E)-5-[(4-cyanophenyl)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

400.99625 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.00353 212.0
[M+Na]+ 423.98547 223.3
[M-H]- 399.98897 218.8
[M+NH4]+ 419.03007 222.5
[M+K]+ 439.95941 214.1
[M+H-H2O]+ 383.99351 199.1
[M+HCOO]- 445.99445 215.4
[M+CH3COO]- 460.01010 224.0
[M+Na-2H]- 421.97092 209.7
[M]+ 400.99570 206.9
[M]- 400.99680 206.9
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.