CID 6478121

5-(2h-benzo[d]1,3-dioxolan-5-ylmethylene)-3-[(phenylsulfonyl)amino]-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C17H12N2O5S3
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)NS(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H12N2O5S3/c20-16-15(9-11-6-7-13-14(8-11)24-10-23-13)26-17(25)19(16)18-27(21,22)12-4-2-1-3-5-12/h1-9,18H,10H2/b15-9+
InChIKey
UQSBTUBDCSFPOT-OQLLNIDSSA-N
Compound name
N-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.99084 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.99812 196.4
[M+Na]+ 442.98006 206.5
[M-H]- 418.98356 206.5
[M+NH4]+ 438.02466 208.0
[M+K]+ 458.95400 201.5
[M+H-H2O]+ 402.98810 193.4
[M+HCOO]- 464.98904 202.5
[M+CH3COO]- 479.00469 206.0
[M+Na-2H]- 440.96551 197.6
[M]+ 419.99029 199.4
[M]- 419.99139 199.4
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.