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]+ 320.200876 179.9
[M+Na]+ 342.182818 184.7
[M-H]- 318.186324 185.2
[M+NH4]+ 337.227423 196.8
[M+K]+ 358.156758 177.4
[M+H-H2O]+ 302.190860 170.5
[M+HCOO]- 364.191801 195.1
[M+CH3COO]- 378.207451 188.8
[M+Na-2H]- 340.168266 181.9
[M]+ 319.19305142 175.0
[M]- 319.19414858 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.