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 185.2
[M+Na]+ 394.05419 194.2
[M-H]- 370.05769 192.5
[M+NH4]+ 389.09879 198.5
[M+K]+ 410.02813 186.1
[M+H-H2O]+ 354.06223 178.3
[M+HCOO]- 416.06317 195.5
[M+CH3COO]- 430.07882 210.5
[M+Na-2H]- 392.03964 180.9
[M]+ 371.06442 187.7
[M]- 371.06552 187.7
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.