CID 54678723

24683-21-4

Structural Information

Molecular Formula

C₁₁H₁₁NO₅S

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O

InChI

InChI=1S/C11H11NO5S/c1-2-17-11(14)9-10(13)7-5-3-4-6-8(7)18(15,16)12-9/h3-6,12-13H,2H2,1H3

InChIKey

KHQMRIBGVBXDMI-UHFFFAOYSA-N

Compound name

ethyl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 269.0358 Da
Monoisotopic Mass: 1.4
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	155.7
[M+Na]+	292.02502	166.9
[M+NH4]+	287.06962	163.2
[M+K]+	307.99896	158.9
[M-H]-	268.02852	154.9
[M+Na-2H]-	290.01047	160.4
[M]+	269.03525	157.4
[M]-	269.03635	157.4

Literature stripe

literature stripe

Patent stripe

patents stripe