CID 6060943

(5z)-5-(1-ethoxyethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Structural Information

Molecular Formula
C7H9NO2S2
SMILES
CCO/C(=C\1/C(=O)NC(=S)S1)/C
InChI
InChI=1S/C7H9NO2S2/c1-3-10-4(2)5-6(9)8-7(11)12-5/h3H2,1-2H3,(H,8,9,11)/b5-4-
InChIKey
MOWRYXSVQDYHLJ-PLNGDYQASA-N
Compound name
(5Z)-5-(1-ethoxyethylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.00748 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.014756 142.1
[M+Na]+ 225.996698 150.4
[M-H]- 202.000204 143.0
[M+NH4]+ 221.041303 161.8
[M+K]+ 241.970638 146.1
[M+H-H2O]+ 186.004740 137.2
[M+HCOO]- 248.005681 151.2
[M+CH3COO]- 262.021331 178.8
[M+Na-2H]- 223.982146 138.6
[M]+ 203.00693142 141.9
[M]- 203.00802858 141.9
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.