CID 1551891

(5e)-3-(4-ethoxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C18H15NO3S2
SMILES
CCOC1=CC=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)O)/SC2=S
InChI
InChI=1S/C18H15NO3S2/c1-2-22-15-9-5-13(6-10-15)19-17(21)16(24-18(19)23)11-12-3-7-14(20)8-4-12/h3-11,20H,2H2,1H3/b16-11+
InChIKey
CUSQKYDSZJCVAY-LFIBNONCSA-N
Compound name
(5E)-3-(4-ethoxyphenyl)-5-[(4-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.04935 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.056626 181.2
[M+Na]+ 380.038568 190.6
[M-H]- 356.042074 188.7
[M+NH4]+ 375.083173 195.0
[M+K]+ 396.012508 182.7
[M+H-H2O]+ 340.046610 174.4
[M+HCOO]- 402.047551 191.8
[M+CH3COO]- 416.063201 191.4
[M+Na-2H]- 378.024016 177.2
[M]+ 357.04880142 183.4
[M]- 357.04989858 183.4
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.