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]+ 319.201616 172.5
[M+Na]+ 341.183558 173.5
[M-H]- 317.187064 169.8
[M+NH4]+ 336.228163 189.2
[M+K]+ 357.157498 171.0
[M+H-H2O]+ 301.191600 164.5
[M+HCOO]- 363.192541 182.4
[M+CH3COO]- 377.208191 179.8
[M+Na-2H]- 339.169006 180.8
[M]+ 318.19379142 175.1
[M]- 318.19488858 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.