CID 82391260

1367907-49-0

Structural Information

Molecular Formula
C8H8N2O4S
SMILES
C1CS(=O)(=O)CC2=C1C(=NC=N2)C(=O)O
InChI
InChI=1S/C8H8N2O4S/c11-8(12)7-5-1-2-15(13,14)3-6(5)9-4-10-7/h4H,1-3H2,(H,11,12)
InChIKey
QNSXFQMGDQIRAG-UHFFFAOYSA-N
Compound name
7,7-dioxo-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.02048 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.02776 145.2
[M+Na]+ 251.00970 156.5
[M+NH4]+ 246.05430 153.1
[M+K]+ 266.98364 148.6
[M-H]- 227.01320 144.4
[M+Na-2H]- 248.99515 150.3
[M]+ 228.01993 146.9
[M]- 228.02103 146.9
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.