CID 209143

19334-78-2

Structural Information

Molecular Formula
C12H13NO2S2
SMILES
CCOC1=CC=C(C=C1)N2C(=O)C(SC2=S)C
InChI
InChI=1S/C12H13NO2S2/c1-3-15-10-6-4-9(5-7-10)13-11(14)8(2)17-12(13)16/h4-8H,3H2,1-2H3
InChIKey
JFPDJEDKKIUFLL-UHFFFAOYSA-N
Compound name
3-(4-ethoxyphenyl)-5-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

267.03876 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.04604 159.6
[M+Na]+ 290.02798 171.1
[M+NH4]+ 285.07258 168.1
[M+K]+ 306.00192 162.4
[M-H]- 266.03148 162.7
[M+Na-2H]- 288.01343 163.7
[M]+ 267.03821 163.0
[M]- 267.03931 163.0
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.