CID 6446491

(+-)-3-(6-(3-phenyl-2-propenyl)-6-azabicyclo(3.2.1)oct-1-yl)phenol hydrochloride

Structural Information

Molecular Formula
C22H25NO
SMILES
C1CC2CC(C1)(CN2C/C=C/C3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C22H25NO/c24-21-12-4-10-19(15-21)22-13-5-11-20(16-22)23(17-22)14-6-9-18-7-2-1-3-8-18/h1-4,6-10,12,15,20,24H,5,11,13-14,16-17H2/b9-6+
InChIKey
UCEIGBSFUNGPSK-RMKNXTFCSA-N
Compound name
3-[6-[(E)-3-phenylprop-2-enyl]-6-azabicyclo[3.2.1]octan-1-yl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.1936 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.20088 179.9
[M+Na]+ 342.18282 184.7
[M-H]- 318.18632 185.2
[M+NH4]+ 337.22742 196.8
[M+K]+ 358.15676 177.4
[M+H-H2O]+ 302.19086 170.5
[M+HCOO]- 364.19180 195.1
[M+CH3COO]- 378.20745 188.8
[M+Na-2H]- 340.16827 181.9
[M]+ 319.19305 175.0
[M]- 319.19415 175.0
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.