CID 1352523

Chembl3930279

Structural Information

Molecular Formula
C12H11NO4S2
SMILES
COC1=CC(=CC(=C1O)OC)/C=C\2/C(=O)NC(=S)S2
InChI
InChI=1S/C12H11NO4S2/c1-16-7-3-6(4-8(17-2)10(7)14)5-9-11(15)13-12(18)19-9/h3-5,14H,1-2H3,(H,13,15,18)/b9-5-
InChIKey
PCIQZJDFKLRXIO-UITAMQMPSA-N
Compound name
(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

26
Patents

297.01294 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.02022 163.1
[M+Na]+ 320.00216 172.6
[M-H]- 296.00566 166.3
[M+NH4]+ 315.04676 178.8
[M+K]+ 335.97610 166.1
[M+H-H2O]+ 280.01020 157.9
[M+HCOO]- 342.01114 172.5
[M+CH3COO]- 356.02679 193.8
[M+Na-2H]- 317.98761 159.4
[M]+ 297.01239 165.2
[M]- 297.01349 165.2
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.