CID 58267701

4-amino-1,2lambda6,3-benzoxathiazine-2,2-dione

Structural Information

Molecular Formula
C7H6N2O3S
SMILES
C1=CC=C2C(=C1)C(=NS(=O)(=O)O2)N
InChI
InChI=1S/C7H6N2O3S/c8-7-5-3-1-2-4-6(5)12-13(10,11)9-7/h1-4H,(H2,8,9)
InChIKey
DDDXYJTZHWCMFC-UHFFFAOYSA-N
Compound name
2,2-dioxo-1,2lambda6,3-benzoxathiazin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

198.00992 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.01720 133.5
[M+Na]+ 220.99914 144.8
[M-H]- 197.00264 137.9
[M+NH4]+ 216.04374 153.5
[M+K]+ 236.97308 142.8
[M+H-H2O]+ 181.00718 127.8
[M+HCOO]- 243.00812 151.3
[M+CH3COO]- 257.02377 147.7
[M+Na-2H]- 218.98459 142.4
[M]+ 198.00937 135.9
[M]- 198.01047 135.9
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

patents stripe