CID 89044

3-ethyl-1h-2,3-benzothiazin-4(3h)-one 2,2-dioxide

Structural Information

Molecular Formula

C₁₀H₁₁NO₃S

SMILES

CCN1C(=O)C2=CC=CC=C2CS1(=O)=O

InChI

InChI=1S/C10H11NO3S/c1-2-11-10(12)9-6-4-3-5-8(9)7-15(11,13)14/h3-6H,2,7H2,1H3

InChIKey

FEPNBMKNKFJTBE-UHFFFAOYSA-N

Compound name

3-ethyl-2,2-dioxo-1H-2lambda6,3-benzothiazin-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 225.04596 Da
Monoisotopic Mass: 0.9
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]+	226.053236	142.3
[M+Na]+	248.035178	153.0
[M-H]-	224.038684	146.1
[M+NH4]+	243.079783	163.2
[M+K]+	264.009118	149.7
[M+H-H2O]+	208.043220	136.8
[M+HCOO]-	270.044161	158.3
[M+CH3COO]-	284.059811	185.7
[M+Na-2H]-	246.020626	147.9
[M]+	225.04541142	145.2
[M]-	225.04650858	145.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe