CID 15958384

Chembl377446

Structural Information

Molecular Formula

C₁₈H₂₃NO₄

SMILES

CC(=O)N1C[C@H](CC1=O)C2=CC(=C(C=C2)OC)OC3CCCC3

InChI

InChI=1S/C18H23NO4/c1-12(20)19-11-14(10-18(19)21)13-7-8-16(22-2)17(9-13)23-15-5-3-4-6-15/h7-9,14-15H,3-6,10-11H2,1-2H3/t14-/m0/s1

InChIKey

PHVDTFJIZIEPPO-AWEZNQCLSA-N

Compound name

(4R)-1-acetyl-4-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidin-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 317.16272 Da
Monoisotopic Mass: 2.2
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]+	318.169996	175.0
[M+Na]+	340.151938	180.3
[M-H]-	316.155444	183.3
[M+NH4]+	335.196543	191.3
[M+K]+	356.125878	177.7
[M+H-H2O]+	300.159980	167.4
[M+HCOO]-	362.160921	194.1
[M+CH3COO]-	376.176571	205.4
[M+Na-2H]-	338.137386	170.5
[M]+	317.16217142	174.5
[M]-	317.16326858	174.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.