CID 30522

2-azabicyclo(2.2.2)octane-2-propanol, beta-methyl-alpha,alpha-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C23H29NO
SMILES
CC(CC(C1=CC=CC=C1)(C2=CC=CC=C2)O)N3CC4CCC3CC4
InChI
InChI=1S/C23H29NO/c1-18(24-17-19-12-14-22(24)15-13-19)16-23(25,20-8-4-2-5-9-20)21-10-6-3-7-11-21/h2-11,18-19,22,25H,12-17H2,1H3
InChIKey
UYTOBPHAYPUOSI-UHFFFAOYSA-N
Compound name
3-(2-azabicyclo[2.2.2]octan-2-yl)-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.232176 180.9
[M+Na]+ 358.214118 180.7
[M-H]- 334.217624 179.5
[M+NH4]+ 353.258723 195.7
[M+K]+ 374.188058 175.3
[M+H-H2O]+ 318.222160 171.9
[M+HCOO]- 380.223101 185.8
[M+CH3COO]- 394.238751 186.7
[M+Na-2H]- 356.199566 188.8
[M]+ 335.22435142 178.4
[M]- 335.22544858 178.4
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.