CID 41805

6-azabicyclo(3.2.1)octane, 6-(2-benzoylethyl)-1-(m-hydroxyphenyl)-, hydrochloride

Structural Information

Molecular Formula
C22H25NO2
SMILES
C1CC2CC(C1)(CN2CCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C22H25NO2/c24-20-10-4-8-18(14-20)22-12-5-9-19(15-22)23(16-22)13-11-21(25)17-6-2-1-3-7-17/h1-4,6-8,10,14,19,24H,5,9,11-13,15-16H2
InChIKey
YOKCOFQAEVMYAN-UHFFFAOYSA-N
Compound name
3-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]-1-phenylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

335.18854 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.19582 183.0
[M+Na]+ 358.17776 187.2
[M-H]- 334.18126 188.3
[M+NH4]+ 353.22236 199.0
[M+K]+ 374.15170 181.1
[M+H-H2O]+ 318.18580 173.8
[M+HCOO]- 380.18674 197.3
[M+CH3COO]- 394.20239 191.6
[M+Na-2H]- 356.16321 184.1
[M]+ 335.18799 179.1
[M]- 335.18909 179.1
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

patents stripe