CID 54686201

118854-48-1

Structural Information

Molecular Formula
C13H15NO5S
SMILES
CC(C)OC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1C)O
InChI
InChI=1S/C13H15NO5S/c1-8(2)19-13(16)11-12(15)9-6-4-5-7-10(9)20(17,18)14(11)3/h4-8,15H,1-3H3
InChIKey
ZHWSBDIYCSOTBY-UHFFFAOYSA-N
Compound name
propan-2-yl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

297.0671 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.07438 163.8
[M+Na]+ 320.05632 175.1
[M+NH4]+ 315.10092 171.1
[M+K]+ 336.03026 167.4
[M-H]- 296.05982 163.2
[M+Na-2H]- 318.04177 168.0
[M]+ 297.06655 165.6
[M]- 297.06765 165.6
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