CID 43949

62190-16-3

Structural Information

Molecular Formula
C18H27N3O5S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)N)C(=O)NCCCOC2CN3CCC2CC3
InChI
InChI=1S/C18H27N3O5S/c1-25-16-4-3-14(27(19,23)24)11-15(16)18(22)20-7-2-10-26-17-12-21-8-5-13(17)6-9-21/h3-4,11,13,17H,2,5-10,12H2,1H3,(H,20,22)(H2,19,23,24)
InChIKey
UWTHLWQZILMALI-UHFFFAOYSA-N
Compound name
N-[3-(1-azabicyclo[2.2.2]octan-3-yloxy)propyl]-2-methoxy-5-sulfamoylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.16714 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.17442 181.5
[M+Na]+ 420.15636 187.5
[M+NH4]+ 415.20096 187.9
[M+K]+ 436.13030 181.5
[M-H]- 396.15986 179.0
[M+Na-2H]- 418.14181 179.0
[M]+ 397.16659 181.6
[M]- 397.16769 181.6
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.