CID 56782

94576-80-4

Structural Information

Molecular Formula

C₂₀H₂₃NO₃

SMILES

C1CCN(C1)CC(C2=CC=CC=C2)OC(=O)COC3=CC=CC=C3

InChI

InChI=1S/C20H23NO3/c22-20(16-23-18-11-5-2-6-12-18)24-19(15-21-13-7-8-14-21)17-9-3-1-4-10-17/h1-6,9-12,19H,7-8,13-16H2

InChIKey

GSZSLBDNOSALRF-UHFFFAOYSA-N

Compound name

(1-phenyl-2-pyrrolidin-1-ylethyl) 2-phenoxyacetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 325.1678 Da
Monoisotopic Mass: 3.9
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]+	326.175076	178.7
[M+Na]+	348.157018	181.1
[M-H]-	324.160524	185.6
[M+NH4]+	343.201623	191.7
[M+K]+	364.130958	177.8
[M+H-H2O]+	308.165060	168.7
[M+HCOO]-	370.166001	197.7
[M+CH3COO]-	384.181651	205.3
[M+Na-2H]-	346.142466	178.8
[M]+	325.16725142	177.7
[M]-	325.16834858	177.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.