CID 209144

19334-79-3

Structural Information

Molecular Formula
C13H15NO2S2
SMILES
CCC1C(=O)N(C(=S)S1)C2=CC=C(C=C2)OCC
InChI
InChI=1S/C13H15NO2S2/c1-3-11-12(15)14(13(17)18-11)9-5-7-10(8-6-9)16-4-2/h5-8,11H,3-4H2,1-2H3
InChIKey
ZPZLCTHKGBMFBQ-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-5-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.0544 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.06168 163.8
[M+Na]+ 304.04362 175.0
[M+NH4]+ 299.08822 172.1
[M+K]+ 320.01756 166.1
[M-H]- 280.04712 166.7
[M+Na-2H]- 302.02907 167.6
[M]+ 281.05385 167.1
[M]- 281.05495 167.1
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.