CID 91928409

N-[(2,3-dihydro-1,1-dioxido-3-oxo-1,2-benzisothiazol-6-yl)methyl]methanesulfonamide

Structural Information

Molecular Formula
C9H10N2O5S2
SMILES
CS(=O)(=O)NCC1=CC2=C(C=C1)C(=O)NS2(=O)=O
InChI
InChI=1S/C9H10N2O5S2/c1-17(13,14)10-5-6-2-3-7-8(4-6)18(15,16)11-9(7)12/h2-4,10H,5H2,1H3,(H,11,12)
InChIKey
IQGXFBWBHSRBEP-UHFFFAOYSA-N
Compound name
N-[(1,1,3-trioxo-1,2-benzothiazol-6-yl)methyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

290.0031 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.01038 161.9
[M+Na]+ 312.99232 169.7
[M+NH4]+ 308.03692 168.5
[M+K]+ 328.96626 162.8
[M-H]- 288.99582 160.0
[M+Na-2H]- 310.97777 164.7
[M]+ 290.00255 163.1
[M]- 290.00365 163.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.