CID 30459

3-azabicyclo(3.2.2)nonane-3-propanol, beta-methyl-alpha,alpha-diphenyl-, hydrochloride

Structural Information

Molecular Formula
C24H31NO
SMILES
CC(CN1CC2CCC(C1)CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C24H31NO/c1-19(16-25-17-20-12-13-21(18-25)15-14-20)24(26,22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-11,19-21,26H,12-18H2,1H3
InChIKey
RRDDKLDCGDQNPP-UHFFFAOYSA-N
Compound name
3-(3-azabicyclo[3.2.2]nonan-3-yl)-2-methyl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24057 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24785 191.0
[M+Na]+ 372.22979 195.8
[M-H]- 348.23329 194.2
[M+NH4]+ 367.27439 205.1
[M+K]+ 388.20373 191.0
[M+H-H2O]+ 332.23783 190.0
[M+HCOO]- 394.23877 197.4
[M+CH3COO]- 408.25442 197.1
[M+Na-2H]- 370.21524 197.5
[M]+ 349.24002 187.7
[M]- 349.24112 187.7
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.