CID 132354105

2138111-19-8

Structural Information

Molecular Formula
C6H7N3O4S
SMILES
C1CN2C(=C(C=N2)C(=O)O)S(=O)(=O)N1
InChI
InChI=1S/C6H7N3O4S/c10-6(11)4-3-7-9-2-1-8-14(12,13)5(4)9/h3,8H,1-2H2,(H,10,11)
InChIKey
KOGMYSFTCYGILZ-UHFFFAOYSA-N
Compound name
1,1-dioxo-3,4-dihydro-2H-pyrazolo[1,5-e][1,2,5]thiadiazine-8-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.01573 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.023006 140.7
[M+Na]+ 240.004948 151.0
[M-H]- 216.008454 139.2
[M+NH4]+ 235.049553 159.1
[M+K]+ 255.978888 147.9
[M+H-H2O]+ 200.012990 135.6
[M+HCOO]- 262.013931 152.4
[M+CH3COO]- 276.029581 176.3
[M+Na-2H]- 237.990396 144.3
[M]+ 217.01518142 140.9
[M]- 217.01627858 140.9
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.