CID 23048

Ksd 2121

Structural Information

Molecular Formula

C₂₃H₂₉NO

SMILES

CCN1C2CCCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H29NO/c1-2-24-20-14-9-15-21(24)17-22(16-20)25-23(18-10-5-3-6-11-18)19-12-7-4-8-13-19/h3-8,10-13,20-23H,2,9,14-17H2,1H3

InChIKey

LVJWCDBYEDZHHJ-UHFFFAOYSA-N

Compound name

3-benzhydryloxy-9-ethyl-9-azabicyclo[3.3.1]nonane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 335.2249 Da
Monoisotopic Mass: 5.2
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]+	336.232176	183.5
[M+Na]+	358.214118	185.1
[M-H]-	334.217624	188.7
[M+NH4]+	353.258723	196.0
[M+K]+	374.188058	179.5
[M+H-H2O]+	318.222160	172.5
[M+HCOO]-	380.223101	196.0
[M+CH3COO]-	394.238751	191.0
[M+Na-2H]-	356.199566	185.2
[M]+	335.22435142	178.0
[M]-	335.22544858	178.0

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.