CID 54676532

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

Structural Information

Molecular Formula
C11H11NO5S
SMILES
CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)OC
InChI
InChI=1S/C11H11NO5S/c1-12-9(11(14)17-2)10(13)7-5-3-4-6-8(7)18(12,15)16/h3-6,13H,1-2H3
InChIKey
NGHIOTWSWSQQNT-UHFFFAOYSA-N
Compound name
methyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

90
Patents

269.0358 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04308 151.6
[M+Na]+ 292.02502 162.4
[M-H]- 268.02852 154.4
[M+NH4]+ 287.06962 170.0
[M+K]+ 307.99896 159.6
[M+H-H2O]+ 252.03306 146.3
[M+HCOO]- 314.03400 166.4
[M+CH3COO]- 328.04965 191.8
[M+Na-2H]- 290.01047 156.0
[M]+ 269.03525 157.1
[M]- 269.03635 157.1
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