CID 43945

62190-14-1

Structural Information

Molecular Formula
C17H25N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCC2CN3CCC2CC3
InChI
InChI=1S/C17H25N3O4S/c1-24-16-3-2-14(25(18,22)23)10-15(16)17(21)19-7-4-13-11-20-8-5-12(13)6-9-20/h2-3,10,12-13H,4-9,11H2,1H3,(H,19,21)(H2,18,22,23)
InChIKey
LCGFRLAIITYQMT-UHFFFAOYSA-N
Compound name
N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.1566 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.163876 180.4
[M+Na]+ 390.145818 182.0
[M-H]- 366.149324 176.8
[M+NH4]+ 385.190423 195.1
[M+K]+ 406.119758 179.8
[M+H-H2O]+ 350.153860 174.6
[M+HCOO]- 412.154801 184.9
[M+CH3COO]- 426.170451 222.0
[M+Na-2H]- 388.131266 189.2
[M]+ 367.15605142 184.3
[M]- 367.15714858 184.3
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.