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]+ 368.16388 180.4
[M+Na]+ 390.14582 182.0
[M-H]- 366.14932 176.8
[M+NH4]+ 385.19042 195.1
[M+K]+ 406.11976 179.8
[M+H-H2O]+ 350.15386 174.6
[M+HCOO]- 412.15480 184.9
[M+CH3COO]- 426.17045 222.0
[M+Na-2H]- 388.13127 189.2
[M]+ 367.15605 184.3
[M]- 367.15715 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.