CID 43944

2-methoxy-n-(3-quinuclidinyl)-5-sulfamoylbenzamide

Structural Information

Molecular Formula
C15H21N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC2CN3CCC2CC3
InChI
InChI=1S/C15H21N3O4S/c1-22-14-3-2-11(23(16,20)21)8-12(14)15(19)17-13-9-18-6-4-10(13)5-7-18/h2-3,8,10,13H,4-7,9H2,1H3,(H,17,19)(H2,16,20,21)
InChIKey
RAWMIERDKUXAKC-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

339.12527 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.13255 171.8
[M+Na]+ 362.11449 174.4
[M-H]- 338.11799 168.7
[M+NH4]+ 357.15909 187.7
[M+K]+ 378.08843 172.6
[M+H-H2O]+ 322.12253 166.4
[M+HCOO]- 384.12347 177.0
[M+CH3COO]- 398.13912 216.2
[M+Na-2H]- 360.09994 181.6
[M]+ 339.12472 175.2
[M]- 339.12582 175.2
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

patents stripe