CID 3079018

Nefiracetam d-2

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₃

SMILES

CC1=C(C(=CC=C1)C)NC(=O)CNCCCC(=O)O

InChI

InChI=1S/C14H20N2O3/c1-10-5-3-6-11(2)14(10)16-12(17)9-15-8-4-7-13(18)19/h3,5-6,15H,4,7-9H2,1-2H3,(H,16,17)(H,18,19)

InChIKey

NAAZEZUKLGBHJF-UHFFFAOYSA-N

Compound name

4-[[2-(2,6-dimethylanilino)-2-oxoethyl]amino]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 264.1474 Da
Monoisotopic Mass: -1.5
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]+	265.154676	162.5
[M+Na]+	287.136618	167.3
[M-H]-	263.140124	164.5
[M+NH4]+	282.181223	177.9
[M+K]+	303.110558	164.8
[M+H-H2O]+	247.144660	155.4
[M+HCOO]-	309.145601	184.9
[M+CH3COO]-	323.161251	201.8
[M+Na-2H]-	285.122066	164.2
[M]+	264.14685142	163.1
[M]-	264.14794858	163.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.