CID 52664

2-methyl-azabicyclononanol diphenylacetate hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CC1(CCC2CCCN1C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C23H27NO2/c1-23(15-14-18-9-8-16-24(23)17-18)26-22(25)21(19-10-4-2-5-11-19)20-12-6-3-7-13-20/h2-7,10-13,18,21H,8-9,14-17H2,1H3

InChIKey

RVSNSXGOJDMUSC-UHFFFAOYSA-N

Compound name

(2-methyl-1-azabicyclo[3.3.1]nonan-2-yl) 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.2042 Da
Monoisotopic Mass: 5.0
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]+	350.211476	187.2
[M+Na]+	372.193418	189.0
[M-H]-	348.196924	192.6
[M+NH4]+	367.238023	200.8
[M+K]+	388.167358	184.3
[M+H-H2O]+	332.201460	176.2
[M+HCOO]-	394.202401	199.1
[M+CH3COO]-	408.218051	194.6
[M+Na-2H]-	370.178866	189.5
[M]+	349.20365142	181.8
[M]-	349.20474858	181.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.