CID 54719426

24683-22-5

Structural Information

Molecular Formula
C9H8N2O4S
SMILES
C1=CC=C2C(=C1)C(=C(NS2(=O)=O)C(=O)N)O
InChI
InChI=1S/C9H8N2O4S/c10-9(13)7-8(12)5-3-1-2-4-6(5)16(14,15)11-7/h1-4,11-12H,(H2,10,13)
InChIKey
KIRHSGGIMMTVPT-UHFFFAOYSA-N
Compound name
4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

240.02048 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.02776 146.8
[M+Na]+ 263.00970 157.3
[M+NH4]+ 258.05430 154.5
[M+K]+ 278.98364 149.9
[M-H]- 239.01320 146.5
[M+Na-2H]- 260.99515 151.7
[M]+ 240.01993 148.4
[M]- 240.02103 148.4
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