CID 3045758

(+-)-3-(6-(2-phenylethyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol

Structural Information

Molecular Formula
C21H25NO
SMILES
C1CC2CC(C1)(CN2CCC3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C21H25NO/c23-20-10-4-8-18(14-20)21-12-5-9-19(15-21)22(16-21)13-11-17-6-2-1-3-7-17/h1-4,6-8,10,14,19,23H,5,9,11-13,15-16H2
InChIKey
GYALMKFBWHHGNP-UHFFFAOYSA-N
Compound name
3-[6-(2-phenylethyl)-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

307.1936 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.20088 177.2
[M+Na]+ 330.18282 190.5
[M+NH4]+ 325.22742 188.4
[M+K]+ 346.15676 180.8
[M-H]- 306.18632 182.7
[M+Na-2H]- 328.16827 185.4
[M]+ 307.19305 180.9
[M]- 307.19415 180.9
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.