CID 16781100

4-amino-n-{1-azabicyclo[2.2.2]octan-3-yl}benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H19N3O2S
SMILES
C1CN2CCC1C(C2)NS(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H19N3O2S/c14-11-1-3-12(4-2-11)19(17,18)15-13-9-16-7-5-10(13)6-8-16/h1-4,10,13,15H,5-9,14H2
InChIKey
OZKIEZRLGUKZIY-UHFFFAOYSA-N
Compound name
4-amino-N-(1-azabicyclo[2.2.2]octan-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1198 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.127076 156.8
[M+Na]+ 304.109018 160.3
[M-H]- 280.112524 154.0
[M+NH4]+ 299.153623 175.2
[M+K]+ 320.082958 157.3
[M+H-H2O]+ 264.117060 151.5
[M+HCOO]- 326.118001 163.5
[M+CH3COO]- 340.133651 165.3
[M+Na-2H]- 302.094466 168.3
[M]+ 281.11925142 157.7
[M]- 281.12034858 157.7
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.