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]+ 292.205976 172.7
[M+Na]+ 314.187918 177.2
[M-H]- 290.191424 179.1
[M+NH4]+ 309.232523 191.2
[M+K]+ 330.161858 170.8
[M+H-H2O]+ 274.195960 162.8
[M+HCOO]- 336.196901 189.4
[M+CH3COO]- 350.212551 182.4
[M+Na-2H]- 312.173366 176.1
[M]+ 291.19815142 168.1
[M]- 291.19924858 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.