CID 5278764

Chembl426647

Structural Information

Molecular Formula

C₁₆H₂₂N₂O₂

SMILES

CC(C)CNC(=O)C(CC1=CC=CC=C1)N2CCC2=O

InChI

InChI=1S/C16H22N2O2/c1-12(2)11-17-16(20)14(18-9-8-15(18)19)10-13-6-4-3-5-7-13/h3-7,12,14H,8-11H2,1-2H3,(H,17,20)

InChIKey

RFUKEJZLVREWAB-UHFFFAOYSA-N

Compound name

N-(2-methylpropyl)-2-(2-oxoazetidin-1-yl)-3-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 274.16812 Da
Monoisotopic Mass: 2.1
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]+	275.175396	169.6
[M+Na]+	297.157338	171.7
[M-H]-	273.160844	173.6
[M+NH4]+	292.201943	177.0
[M+K]+	313.131278	172.7
[M+H-H2O]+	257.165380	155.3
[M+HCOO]-	319.166321	187.3
[M+CH3COO]-	333.181971	206.1
[M+Na-2H]-	295.142786	169.2
[M]+	274.16757142	177.1
[M]-	274.16866858	177.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.