CID 3053124

Brn 1399124

Structural Information

Molecular Formula

C₂₀H₂₅NO₃

SMILES

CCC(=O)OC1(CCN(C1C)CCC2=CC=CO2)C3=CC=CC=C3

InChI

InChI=1S/C20H25NO3/c1-3-19(22)24-20(17-8-5-4-6-9-17)12-14-21(16(20)2)13-11-18-10-7-15-23-18/h4-10,15-16H,3,11-14H2,1-2H3

InChIKey

GLMRLNUJVDOASG-UHFFFAOYSA-N

Compound name

[1-[2-(furan-2-yl)ethyl]-2-methyl-3-phenylpyrrolidin-3-yl] propanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 327.18344 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]+	328.190716	178.9
[M+Na]+	350.172658	184.7
[M-H]-	326.176164	187.9
[M+NH4]+	345.217263	195.4
[M+K]+	366.146598	182.4
[M+H-H2O]+	310.180700	171.3
[M+HCOO]-	372.181641	199.1
[M+CH3COO]-	386.197291	206.4
[M+Na-2H]-	348.158106	178.2
[M]+	327.18289142	181.4
[M]-	327.18398858	181.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.