CID 15285502

151643-48-0

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CCCCOC1=CC=CC=C1NC(=O)OC2CN3CCC2CC3
InChI
InChI=1S/C18H26N2O3/c1-2-3-12-22-16-7-5-4-6-15(16)19-18(21)23-17-13-20-10-8-14(17)9-11-20/h4-7,14,17H,2-3,8-13H2,1H3,(H,19,21)
InChIKey
MDPLFUSLQUMWDG-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl N-(2-butoxyphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.19434 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 172.5
[M+Na]+ 341.18356 173.5
[M-H]- 317.18706 169.8
[M+NH4]+ 336.22816 189.2
[M+K]+ 357.15750 171.0
[M+H-H2O]+ 301.19160 164.5
[M+HCOO]- 363.19254 182.4
[M+CH3COO]- 377.20819 179.8
[M+Na-2H]- 339.16901 180.8
[M]+ 318.19379 175.1
[M]- 318.19489 175.1
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.