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

74
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 145.3
[M+Na]+ 263.00970 155.0
[M-H]- 239.01320 146.0
[M+NH4]+ 258.05430 163.2
[M+K]+ 278.98364 150.5
[M+H-H2O]+ 223.01774 140.2
[M+HCOO]- 285.01868 159.3
[M+CH3COO]- 299.03433 185.3
[M+Na-2H]- 260.99515 150.3
[M]+ 240.01993 144.8
[M]- 240.02103 144.8
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