CID 4219195

204863-53-6

Structural Information

Molecular Formula

C₁₁H₁₁NO₃S

SMILES

CCOC(=O)C1=CC2=C(C=C1)SCC(=O)N2

InChI

InChI=1S/C11H11NO3S/c1-2-15-11(14)7-3-4-9-8(5-7)12-10(13)6-16-9/h3-5H,2,6H2,1H3,(H,12,13)

InChIKey

ANIBMWZLVBRBFZ-UHFFFAOYSA-N

Compound name

ethyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 237.04596 Da
Monoisotopic Mass: 1.6
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]+	238.05324	149.7
[M+Na]+	260.03518	161.1
[M+NH4]+	255.07978	157.6
[M+K]+	276.00912	153.5
[M-H]-	236.03868	150.5
[M+Na-2H]-	258.02063	153.6
[M]+	237.04541	151.8
[M]-	237.04651	151.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe