CID 3056336

1,2-benzisothiazolin-3-one, 2-(2-morpholinoethyl)-, 1,1-dioxide, hydrochloride

Structural Information

Molecular Formula
C13H16N2O4S
SMILES
C1COCCN1CCN2C(=O)C3=CC=CC=C3S2(=O)=O
InChI
InChI=1S/C13H16N2O4S/c16-13-11-3-1-2-4-12(11)20(17,18)15(13)6-5-14-7-9-19-10-8-14/h1-4H,5-10H2
InChIKey
UWFLISXTGZCUNR-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethyl)-1,1-dioxo-1,2-benzothiazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.08307 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.09035 162.8
[M+Na]+ 319.07229 171.8
[M-H]- 295.07579 168.3
[M+NH4]+ 314.11689 179.4
[M+K]+ 335.04623 169.3
[M+H-H2O]+ 279.08033 156.0
[M+HCOO]- 341.08127 175.5
[M+CH3COO]- 355.09692 174.3
[M+Na-2H]- 317.05774 165.3
[M]+ 296.08252 164.8
[M]- 296.08362 164.8
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.