CID 21149891

102156-69-4

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CCC(=O)OC1(CCN(C1C2=CC=CC=C2)C)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-3-18(22)23-20(17-12-8-5-9-13-17)14-15-21(2)19(20)16-10-6-4-7-11-16/h4-13,19H,3,14-15H2,1-2H3

InChIKey

FFEVEWPSMCPLDX-UHFFFAOYSA-N

Compound name

(1-methyl-2,3-diphenylpyrrolidin-3-yl) propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 3.6
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]+	310.180156	175.3
[M+Na]+	332.162098	181.3
[M-H]-	308.165604	183.4
[M+NH4]+	327.206703	191.9
[M+K]+	348.136038	177.0
[M+H-H2O]+	292.170140	166.3
[M+HCOO]-	354.171081	195.3
[M+CH3COO]-	368.186731	204.2
[M+Na-2H]-	330.147546	176.2
[M]+	309.17233142	174.7
[M]-	309.17342858	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.