CID 2731052

5-ethoxymethylene-2-thioxo-3-(o-tolyl)-4-thiazolidinone

Structural Information

Molecular Formula
C13H13NO2S2
SMILES
CCO/C=C\1/C(=O)N(C(=S)S1)C2=CC=CC=C2C
InChI
InChI=1S/C13H13NO2S2/c1-3-16-8-11-12(15)14(13(17)18-11)10-7-5-4-6-9(10)2/h4-8H,3H2,1-2H3/b11-8-
InChIKey
ADYFNTGSIDDBLV-FLIBITNWSA-N
Compound name
(5Z)-5-(ethoxymethylidene)-3-(2-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.03876 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.04604 160.8
[M+Na]+ 302.02798 170.8
[M-H]- 278.03148 166.6
[M+NH4]+ 297.07258 178.8
[M+K]+ 318.00192 164.8
[M+H-H2O]+ 262.03602 154.9
[M+HCOO]- 324.03696 172.6
[M+CH3COO]- 338.05261 196.1
[M+Na-2H]- 300.01343 157.3
[M]+ 279.03821 163.7
[M]- 279.03931 163.7
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.