CID 5278763

Chembl196457

Structural Information

Molecular Formula

C₁₉H₂₀N₂O₂

SMILES

C1CN(C1=O)C(CC2=CC=CC=C2)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C19H20N2O2/c22-18-11-12-21(18)17(13-15-7-3-1-4-8-15)19(23)20-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,20,23)

InChIKey

HUADVIIJQLJCII-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 308.15247 Da
Monoisotopic Mass: 2.3
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]+	309.159746	173.1
[M+Na]+	331.141688	175.6
[M-H]-	307.145194	179.9
[M+NH4]+	326.186293	178.7
[M+K]+	347.115628	174.9
[M+H-H2O]+	291.149730	157.4
[M+HCOO]-	353.150671	192.2
[M+CH3COO]-	367.166321	210.0
[M+Na-2H]-	329.127136	175.2
[M]+	308.15192142	179.6
[M]-	308.15301858	179.6

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.