CID 199018

Ainicaine hydrochloride

Structural Information

Molecular Formula

C₂₁H₂₅NO₂

SMILES

C1CCN(CC1)CCOC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C21H25NO2/c23-21(24-17-16-22-14-8-3-9-15-22)20(18-10-4-1-5-11-18)19-12-6-2-7-13-19/h1-2,4-7,10-13,20H,3,8-9,14-17H2

InChIKey

BXPWUOQQRMOUIT-UHFFFAOYSA-N

Compound name

2-piperidin-1-ylethyl 2,2-diphenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.18854 Da
Monoisotopic Mass: 4.3
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]+	324.195816	179.6
[M+Na]+	346.177758	180.7
[M-H]-	322.181264	185.5
[M+NH4]+	341.222363	190.5
[M+K]+	362.151698	176.4
[M+H-H2O]+	306.185800	168.8
[M+HCOO]-	368.186741	195.7
[M+CH3COO]-	382.202391	206.8
[M+Na-2H]-	344.163206	180.8
[M]+	323.18799142	175.1
[M]-	323.18908858	175.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.