CID 3045748

(+-)-1-phenyl-6-(2-phenylethyl)-6-azabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C21H25N
SMILES
C1CC2CC(C1)(CN2CCC3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H25N/c1-3-8-18(9-4-1)13-15-22-17-21(14-7-12-20(22)16-21)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2
InChIKey
MLOGVXYVSGHBBP-UHFFFAOYSA-N
Compound name
1-phenyl-6-(2-phenylethyl)-6-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 292.20598 172.7
[M+Na]+ 314.18792 177.2
[M-H]- 290.19142 179.1
[M+NH4]+ 309.23252 191.2
[M+K]+ 330.16186 170.8
[M+H-H2O]+ 274.19596 162.8
[M+HCOO]- 336.19690 189.4
[M+CH3COO]- 350.21255 182.4
[M+Na-2H]- 312.17337 176.1
[M]+ 291.19815 168.1
[M]- 291.19925 168.1
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.