CID 1205981

3-benzyl-5-(3-ethoxy-4-hydroxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C19H17NO3S2
SMILES
CCOC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC3=CC=CC=C3)O
InChI
InChI=1S/C19H17NO3S2/c1-2-23-16-10-14(8-9-15(16)21)11-17-18(22)20(19(24)25-17)12-13-6-4-3-5-7-13/h3-11,21H,2,12H2,1H3/b17-11+
InChIKey
GIUYRGSYCKSGMO-GZTJUZNOSA-N
Compound name
(5E)-3-benzyl-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

371.06497 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.07225 185.5
[M+Na]+ 394.05419 197.9
[M+NH4]+ 389.09879 192.9
[M+K]+ 410.02813 188.2
[M-H]- 370.05769 189.9
[M+Na-2H]- 392.03964 191.1
[M]+ 371.06442 189.4
[M]- 371.06552 189.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.