CID 17138

3-beta-phenyl-9-benzyl-9-azabicyclo(3.3.1)nonane hydrochloride

Structural Information

Molecular Formula
C21H25N
SMILES
C1CC2CC(CC(C1)N2CC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H25N/c1-3-8-17(9-4-1)16-22-20-12-7-13-21(22)15-19(14-20)18-10-5-2-6-11-18/h1-6,8-11,19-21H,7,12-16H2
InChIKey
GUKVQGJUHKIGAP-UHFFFAOYSA-N
Compound name
9-benzyl-3-phenyl-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1987 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.205976 171.0
[M+Na]+ 314.187918 174.1
[M-H]- 290.191424 176.6
[M+NH4]+ 309.232523 185.6
[M+K]+ 330.161858 167.7
[M+H-H2O]+ 274.195960 160.5
[M+HCOO]- 336.196901 185.2
[M+CH3COO]- 350.212551 179.7
[M+Na-2H]- 312.173366 174.9
[M]+ 291.19815142 164.1
[M]- 291.19924858 164.1
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.