CID 3053115

69552-01-8

Structural Information

Molecular Formula

C₂₃H₂₇NO₃

SMILES

CCC(=O)OC1(CCN(C1C)CCC(=O)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C23H27NO3/c1-3-22(26)27-23(20-12-8-5-9-13-20)15-17-24(18(23)2)16-14-21(25)19-10-6-4-7-11-19/h4-13,18H,3,14-17H2,1-2H3

InChIKey

AFOFEMOYGJIMMY-UHFFFAOYSA-N

Compound name

[2-methyl-1-(3-oxo-3-phenylpropyl)-3-phenylpyrrolidin-3-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 365.1991 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]+	366.206376	190.7
[M+Na]+	388.188318	195.0
[M-H]-	364.191824	198.3
[M+NH4]+	383.232923	204.7
[M+K]+	404.162258	190.8
[M+H-H2O]+	348.196360	181.3
[M+HCOO]-	410.197301	209.0
[M+CH3COO]-	424.212951	215.2
[M+Na-2H]-	386.173766	189.1
[M]+	365.19855142	191.2
[M]-	365.19964858	191.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe