CID 54676532

35511-15-0

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: 88
Patents: 269.0358 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	270.04308	155.8
[M+Na]+	292.02502	167.9
[M+NH4]+	287.06962	163.6
[M+K]+	307.99896	159.8
[M-H]-	268.02852	155.5
[M+Na-2H]-	290.01047	160.8
[M]+	269.03525	157.9
[M]-	269.03635	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe