CID 43947

62190-15-2

Structural Information

Molecular Formula
C15H21N3O4S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NC23CCN(CC2)CC3
InChI
InChI=1S/C15H21N3O4S/c1-22-13-3-2-11(23(16,20)21)10-12(13)14(19)17-15-4-7-18(8-5-15)9-6-15/h2-3,10H,4-9H2,1H3,(H,17,19)(H2,16,20,21)
InChIKey
YAZFWEDKLGDEPL-UHFFFAOYSA-N
Compound name
N-(1-azabicyclo[2.2.2]octan-4-yl)-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.12527 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.132546 172.0
[M+Na]+ 362.114488 174.9
[M-H]- 338.117994 168.7
[M+NH4]+ 357.159093 189.6
[M+K]+ 378.088428 173.1
[M+H-H2O]+ 322.122530 166.5
[M+HCOO]- 384.123471 177.2
[M+CH3COO]- 398.139121 214.5
[M+Na-2H]- 360.099936 183.8
[M]+ 339.12472142 175.5
[M]- 339.12581858 175.5
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.