CID 1552031

Stk968758

Structural Information

Molecular Formula
C18H16N2O5S3
SMILES
COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)NS(=O)(=O)C3=CC=CC=C3)OC
InChI
InChI=1S/C18H16N2O5S3/c1-24-14-9-8-12(10-15(14)25-2)11-16-17(21)20(18(26)27-16)19-28(22,23)13-6-4-3-5-7-13/h3-11,19H,1-2H3/b16-11+
InChIKey
GTSURNPUXVKVHJ-LFIBNONCSA-N
Compound name
N-[(5E)-5-[(3,4-dimethoxyphenyl)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

436.02213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.02941 200.9
[M+Na]+ 459.01135 209.0
[M-H]- 435.01485 208.0
[M+NH4]+ 454.05595 211.0
[M+K]+ 474.98529 200.5
[M+H-H2O]+ 419.01939 194.0
[M+HCOO]- 481.02033 207.2
[M+CH3COO]- 495.03598 222.7
[M+Na-2H]- 456.99680 200.0
[M]+ 436.02158 204.0
[M]- 436.02268 204.0
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.