CID 1998836

Stk926468

Structural Information

Molecular Formula
C19H16N2O3S3
SMILES
C/C(=C\C1=CC=CC=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C19H16N2O3S3/c1-14(12-15-8-4-2-5-9-15)13-17-18(22)21(19(25)26-17)20-27(23,24)16-10-6-3-7-11-16/h2-13,20H,1H3/b14-12+,17-13+
InChIKey
DMYRIVYLLBJZLW-SWZGKVDCSA-N
Compound name
N-[(5E)-5-[(E)-2-methyl-3-phenylprop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.03232 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.03960 198.7
[M+Na]+ 439.02154 206.0
[M-H]- 415.02504 205.3
[M+NH4]+ 434.06614 209.4
[M+K]+ 454.99548 196.1
[M+H-H2O]+ 399.02958 191.8
[M+HCOO]- 461.03052 203.6
[M+CH3COO]- 475.04617 218.4
[M+Na-2H]- 437.00699 196.7
[M]+ 416.03177 197.6
[M]- 416.03287 197.6
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.