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]+ 204.01476 142.1
[M+Na]+ 225.99670 150.4
[M-H]- 202.00020 143.0
[M+NH4]+ 221.04130 161.8
[M+K]+ 241.97064 146.1
[M+H-H2O]+ 186.00474 137.2
[M+HCOO]- 248.00568 151.2
[M+CH3COO]- 262.02133 178.8
[M+Na-2H]- 223.98215 138.6
[M]+ 203.00693 141.9
[M]- 203.00803 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.