CID 6478154

(5e)-5-[(3,4-dimethyl-2-furyl)methylene]-2-thioxo-thiazolidin-4-one

Structural Information

Molecular Formula
C10H9NO2S2
SMILES
CC1=COC(=C1C)/C=C/2\C(=O)NC(=S)S2
InChI
InChI=1S/C10H9NO2S2/c1-5-4-13-7(6(5)2)3-8-9(12)11-10(14)15-8/h3-4H,1-2H3,(H,11,12,14)/b8-3+
InChIKey
WYQKTJJBASMXMJ-FPYGCLRLSA-N
Compound name
(5E)-5-[(3,4-dimethylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.00748 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.01476 151.5
[M+Na]+ 261.99670 162.8
[M-H]- 238.00020 157.5
[M+NH4]+ 257.04130 171.1
[M+K]+ 277.97064 158.3
[M+H-H2O]+ 222.00474 147.7
[M+HCOO]- 284.00568 163.0
[M+CH3COO]- 298.02133 185.2
[M+Na-2H]- 259.98215 147.2
[M]+ 239.00693 153.1
[M]- 239.00803 153.1
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.