CID 54676531

Methyl 4-hydroxy-2h-1,2-benzothiazine-3-carboxylate 1,1-dioxide

Structural Information

Molecular Formula
C10H9NO5S
SMILES
COC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O
InChI
InChI=1S/C10H9NO5S/c1-16-10(13)8-9(12)6-4-2-3-5-7(6)17(14,15)11-8/h2-5,11-12H,1H3
InChIKey
GEUURTZIEGFZAG-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

42
Patents

255.02014 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.02742 148.6
[M+Na]+ 278.00936 158.6
[M-H]- 254.01286 149.8
[M+NH4]+ 273.05396 166.6
[M+K]+ 293.98330 155.1
[M+H-H2O]+ 238.01740 143.5
[M+HCOO]- 300.01834 162.3
[M+CH3COO]- 314.03399 185.2
[M+Na-2H]- 275.99481 153.7
[M]+ 255.01959 151.5
[M]- 255.02069 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe