CID 3071149

Brn 5618650

Structural Information

Molecular Formula

C₂₄H₂₉NO₂

SMILES

CCCC(C1=CC=CC=C1)(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C24H29NO2/c1-2-15-24(20-9-5-3-6-10-20,21-11-7-4-8-12-21)23(26)27-22-18-25-16-13-19(22)14-17-25/h3-12,19,22H,2,13-18H2,1H3

InChIKey

VFFFDVTXOZYRIT-UHFFFAOYSA-N

Compound name

1-azabicyclo[2.2.2]octan-3-yl 2,2-diphenylpentanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 363.21982 Da
Monoisotopic Mass: 5.3
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]+	364.227096	187.8
[M+Na]+	386.209038	187.5
[M-H]-	362.212544	187.5
[M+NH4]+	381.253643	201.9
[M+K]+	402.182978	182.9
[M+H-H2O]+	346.217080	178.0
[M+HCOO]-	408.218021	194.0
[M+CH3COO]-	422.233671	193.6
[M+Na-2H]-	384.194486	195.6
[M]+	363.21927142	187.8
[M]-	363.22036858	187.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.