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

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 146.2
[M+Na]+ 248.03518 159.2
[M+NH4]+ 243.07978 155.9
[M+K]+ 264.00912 149.1
[M-H]- 224.03868 147.6
[M+Na-2H]- 246.02063 152.6
[M]+ 225.04541 149.0
[M]- 225.04651 149.0
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.