CID 120030

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

Structural Information

Molecular Formula
C10H11NO3S
SMILES
CCN1C(=O)CC2=CC=CC=C2S1(=O)=O
InChI
InChI=1S/C10H11NO3S/c1-2-11-10(12)7-8-5-3-4-6-9(8)15(11,13)14/h3-6H,2,7H2,1H3
InChIKey
TUYRLWDFXARPCV-UHFFFAOYSA-N
Compound name
2-ethyl-1,1-dioxo-4H-1lambda6,2-benzothiazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.04596 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.05324 142.3
[M+Na]+ 248.03518 153.0
[M-H]- 224.03868 146.1
[M+NH4]+ 243.07978 163.2
[M+K]+ 264.00912 149.7
[M+H-H2O]+ 208.04322 136.8
[M+HCOO]- 270.04416 158.3
[M+CH3COO]- 284.05981 185.7
[M+Na-2H]- 246.02063 147.9
[M]+ 225.04541 145.2
[M]- 225.04651 145.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.