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]+ 218.02301 140.7
[M+Na]+ 240.00495 151.0
[M-H]- 216.00845 139.2
[M+NH4]+ 235.04955 159.1
[M+K]+ 255.97889 147.9
[M+H-H2O]+ 200.01299 135.6
[M+HCOO]- 262.01393 152.4
[M+CH3COO]- 276.02958 176.3
[M+Na-2H]- 237.99040 144.3
[M]+ 217.01518 140.9
[M]- 217.01628 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.