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 186.6
[M+Na]+ 420.15636 187.3
[M-H]- 396.15986 182.7
[M+NH4]+ 415.20096 199.8
[M+K]+ 436.13030 185.8
[M+H-H2O]+ 380.16440 180.5
[M+HCOO]- 442.16534 190.8
[M+CH3COO]- 456.18099 227.1
[M+Na-2H]- 418.14181 195.5
[M]+ 397.16659 192.2
[M]- 397.16769 192.2
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

No patent data available for this compound.