CID 178244175

6,7-dihydroxy-1-oxo-4h-thieno[3,2-b]pyridin-5-one

Structural Information

Molecular Formula
C7H5NO4S
SMILES
C1=CS(=O)C2=C1NC(=O)C(=C2O)O
InChI
InChI=1S/C7H5NO4S/c9-4-5(10)7(11)8-3-1-2-13(12)6(3)4/h1-2,10H,(H2,8,9,11)
InChIKey
HIBUTPMONKYDJE-UHFFFAOYSA-N
Compound name
6,7-dihydroxy-1-oxo-4H-thieno[3,2-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

198.99393 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.001206 134.8
[M+Na]+ 221.983148 147.2
[M-H]- 197.986654 135.9
[M+NH4]+ 217.027753 154.9
[M+K]+ 237.957088 142.5
[M+H-H2O]+ 181.991190 130.8
[M+HCOO]- 243.992131 150.9
[M+CH3COO]- 258.007781 173.3
[M+Na-2H]- 219.968596 137.9
[M]+ 198.99338142 137.1
[M]- 198.99447858 137.1
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.