CID 24844457

102207-54-5

Structural Information

Molecular Formula

C₂₂H₃₂N₂O₃

SMILES

C1CCN(CC1)CCOCCOC(=O)C(C2=CC=CC=C2)N3CCC=CC3

InChI

InChI=1S/C22H32N2O3/c25-22(27-19-18-26-17-16-23-12-6-2-7-13-23)21(20-10-4-1-5-11-20)24-14-8-3-9-15-24/h1,3-5,8,10-11,21H,2,6-7,9,12-19H2

InChIKey

WNMRAVIYWYHCMX-UHFFFAOYSA-N

Compound name

2-(2-piperidin-1-ylethoxy)ethyl 2-(3,6-dihydro-2H-pyridin-1-yl)-2-phenylacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 372.2413 Da
Monoisotopic Mass: 3.3
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]+	373.248576	192.7
[M+Na]+	395.230518	191.1
[M-H]-	371.234024	196.2
[M+NH4]+	390.275123	200.0
[M+K]+	411.204458	187.5
[M+H-H2O]+	355.238560	180.4
[M+HCOO]-	417.239501	204.4
[M+CH3COO]-	431.255151	215.1
[M+Na-2H]-	393.215966	191.7
[M]+	372.24075142	187.6
[M]-	372.24184858	187.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.