CID 107347

4879-41-8

Structural Information

Molecular Formula

C₁₉H₂₁NO

SMILES

C1CCN(C1)CC(C2=CC=CC=C2)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H21NO/c21-19(17-11-5-2-6-12-17)18(15-20-13-7-8-14-20)16-9-3-1-4-10-16/h1-6,9-12,18H,7-8,13-15H2

InChIKey

RKMMNJJFYFRSOY-UHFFFAOYSA-N

Compound name

1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 4
Patents: 279.16232 Da
Monoisotopic Mass: 3.8
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]+	280.169596	167.9
[M+Na]+	302.151538	171.0
[M-H]-	278.155044	175.0
[M+NH4]+	297.196143	182.9
[M+K]+	318.125478	166.6
[M+H-H2O]+	262.159580	158.5
[M+HCOO]-	324.160521	186.9
[M+CH3COO]-	338.176171	177.9
[M+Na-2H]-	300.136986	168.5
[M]+	279.16177142	163.9
[M]-	279.16286858	163.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe