CID 3045750

(+-)-1-phenyl-3-(1-phenyl-6-azabicyclo(3.2.1)oct-6-yl)-1-propanone hydrochloride

Structural Information

Molecular Formula

C₂₂H₂₅NO

SMILES

C1CC2CC(C1)(CN2CCC(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H25NO/c24-21(18-8-3-1-4-9-18)13-15-23-17-22(14-7-12-20(23)16-22)19-10-5-2-6-11-19/h1-6,8-11,20H,7,12-17H2

InChIKey

LEHAMQKXZRHFHQ-UHFFFAOYSA-N

Compound name

1-phenyl-3-(1-phenyl-6-azabicyclo[3.2.1]octan-6-yl)propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 319.1936 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	320.200876	180.1
[M+Na]+	342.182818	183.9
[M-H]-	318.186324	186.3
[M+NH4]+	337.227423	197.2
[M+K]+	358.156758	177.9
[M+H-H2O]+	302.190860	170.2
[M+HCOO]-	364.191801	195.7
[M+CH3COO]-	378.207451	189.1
[M+Na-2H]-	340.168266	181.9
[M]+	319.19305142	176.0
[M]-	319.19414858	176.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.