CID 210859

Brn 0496319

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₂

SMILES

CCC(=O)N(C1CCN(C1)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N2O2/c1-2-22(26)24(19-11-7-4-8-12-19)20-13-15-23(17-20)16-14-21(25)18-9-5-3-6-10-18/h3-12,20H,2,13-17H2,1H3

InChIKey

ARUCVIVHEKREBL-UHFFFAOYSA-N

Compound name

N-[1-(3-oxo-3-phenylpropyl)pyrrolidin-3-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 350.19943 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]+	351.206706	187.0
[M+Na]+	373.188648	189.1
[M-H]-	349.192154	195.3
[M+NH4]+	368.233253	199.5
[M+K]+	389.162588	185.5
[M+H-H2O]+	333.196690	176.6
[M+HCOO]-	395.197631	206.8
[M+CH3COO]-	409.213281	217.8
[M+Na-2H]-	371.174096	185.2
[M]+	350.19888142	185.6
[M]-	350.19997858	185.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe