CID 5716376

Ccg-40883

Structural Information

Molecular Formula
C10H9NO2S2
SMILES
CC1=C(OC(=C1)/C=C\2/C(=O)NC(=S)S2)C
InChI
InChI=1S/C10H9NO2S2/c1-5-3-7(13-6(5)2)4-8-9(12)11-10(14)15-8/h3-4H,1-2H3,(H,11,12,14)/b8-4-
InChIKey
CYNVYCUSLROTQG-YWEYNIOJSA-N
Compound name
(5Z)-5-[(4,5-dimethylfuran-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

239.00748 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.014756 151.5
[M+Na]+ 261.996698 162.8
[M-H]- 238.000204 157.5
[M+NH4]+ 257.041303 171.1
[M+K]+ 277.970638 158.3
[M+H-H2O]+ 222.004740 147.7
[M+HCOO]- 284.005681 163.0
[M+CH3COO]- 298.021331 185.2
[M+Na-2H]- 259.982146 147.2
[M]+ 239.00693142 153.1
[M]- 239.00802858 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

literature stripe

Patent stripe

No patent data available for this compound.