CID 16798

2291-55-6

Structural Information

Molecular Formula

C₂₃H₂₇NO₂

SMILES

CN1C2CCCC1CC(C2)OC(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

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

InChIKey

HDVCAVADDPJAAK-UHFFFAOYSA-N

Compound name

(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl) 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 349.2042 Da
Monoisotopic Mass: 4.5
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	185.6
[M+Na]+	372.193418	187.2
[M-H]-	348.196924	190.9
[M+NH4]+	367.238023	197.3
[M+K]+	388.167358	182.2
[M+H-H2O]+	332.201460	174.8
[M+HCOO]-	394.202401	197.5
[M+CH3COO]-	408.218051	192.9
[M+Na-2H]-	370.178866	186.4
[M]+	349.20365142	180.2
[M]-	349.20474858	180.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.