CID 6347385

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

Structural Information

Molecular Formula
C18H15NO2S2
SMILES
C1=CC=C(C=C1)CCN2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S
InChI
InChI=1S/C18H15NO2S2/c20-15-8-6-14(7-9-15)12-16-17(21)19(18(22)23-16)11-10-13-4-2-1-3-5-13/h1-9,12,20H,10-11H2/b16-12+
InChIKey
YHXJSLLNANMGLB-FOWTUZBSSA-N
Compound name
(5E)-5-[(4-hydroxyphenyl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.0544 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06168 177.8
[M+Na]+ 364.04362 186.9
[M-H]- 340.04712 185.0
[M+NH4]+ 359.08822 192.2
[M+K]+ 380.01756 178.4
[M+H-H2O]+ 324.05166 171.0
[M+HCOO]- 386.05260 188.3
[M+CH3COO]- 400.06825 188.0
[M+Na-2H]- 362.02907 174.2
[M]+ 341.05385 178.3
[M]- 341.05495 178.3
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.