CID 170912068

4,4-dioxo-5h,6h,7h-4lambda6-pyrazolo[3,2-b][1,3]thiazine-3-carboxylic acid

Structural Information

Molecular Formula
C7H8N2O4S
SMILES
C1CN2C(=C(C=N2)C(=O)O)S(=O)(=O)C1
InChI
InChI=1S/C7H8N2O4S/c10-7(11)5-4-8-9-2-1-3-14(12,13)6(5)9/h4H,1-3H2,(H,10,11)
InChIKey
CNZVMFHLPHKTIK-UHFFFAOYSA-N
Compound name
4,4-dioxo-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]thiazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

216.02048 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.02776 140.3
[M+Na]+ 239.00970 150.6
[M-H]- 215.01320 141.5
[M+NH4]+ 234.05430 160.9
[M+K]+ 254.98364 148.3
[M+H-H2O]+ 199.01774 135.5
[M+HCOO]- 261.01868 154.5
[M+CH3COO]- 275.03433 178.7
[M+Na-2H]- 236.99515 144.0
[M]+ 216.01993 142.2
[M]- 216.02103 142.2
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.