CID 1379520

5366-47-2

Structural Information

Molecular Formula
C16H12N2O3S3
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C16H12N2O3S3/c19-15-14(11-12-7-3-1-4-8-12)23-16(22)18(15)17-24(20,21)13-9-5-2-6-10-13/h1-11,17H/b14-11+
InChIKey
YMWXQEPXNNIXDH-SDNWHVSQSA-N
Compound name
N-[(5E)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.001 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.00828 187.3
[M+Na]+ 398.99022 196.2
[M-H]- 374.99372 194.5
[M+NH4]+ 394.03482 199.8
[M+K]+ 414.96416 186.7
[M+H-H2O]+ 358.99826 180.7
[M+HCOO]- 420.99920 194.1
[M+CH3COO]- 435.01485 210.5
[M+Na-2H]- 396.97567 187.2
[M]+ 376.00045 186.6
[M]- 376.00155 186.6
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.