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]+ 336.23218 180.9
[M+Na]+ 358.21412 180.7
[M-H]- 334.21762 179.5
[M+NH4]+ 353.25872 195.7
[M+K]+ 374.18806 175.3
[M+H-H2O]+ 318.22216 171.9
[M+HCOO]- 380.22310 185.8
[M+CH3COO]- 394.23875 186.7
[M+Na-2H]- 356.19957 188.8
[M]+ 335.22435 178.4
[M]- 335.22545 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.