CID 3045762

1-butanone, 4-(1-(3-hydroxyphenyl)-6-azabicyclo(3.2.1)oct-6-yl)-1-phenyl-, hydrochloride, (+-)-

Structural Information

Molecular Formula
C23H27NO2
SMILES
C1CC2CC(C1)(CN2CCCC(=O)C3=CC=CC=C3)C4=CC(=CC=C4)O
InChI
InChI=1S/C23H27NO2/c25-21-11-4-9-19(15-21)23-13-5-10-20(16-23)24(17-23)14-6-12-22(26)18-7-2-1-3-8-18/h1-4,7-9,11,15,20,25H,5-6,10,12-14,16-17H2
InChIKey
SWECCUSESSBCMB-UHFFFAOYSA-N
Compound name
4-[1-(3-hydroxyphenyl)-6-azabicyclo[3.2.1]octan-6-yl]-1-phenylbutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

349.2042 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21148 188.0
[M+Na]+ 372.19342 200.0
[M+NH4]+ 367.23802 197.9
[M+K]+ 388.16736 191.1
[M-H]- 348.19692 192.5
[M+Na-2H]- 370.17887 194.8
[M]+ 349.20365 191.1
[M]- 349.20475 191.1
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