CID 3048894

Brn 0443206

Structural Information

Molecular Formula

C₂₀H₂₃N₃O₂

SMILES

CCCNCC(=O)NC1=CC=CC=C1C2C3=CC=CC=C3CC(=O)N2

InChI

InChI=1S/C20H23N3O2/c1-2-11-21-13-19(25)22-17-10-6-5-9-16(17)20-15-8-4-3-7-14(15)12-18(24)23-20/h3-10,20-21H,2,11-13H2,1H3,(H,22,25)(H,23,24)

InChIKey

NYASMVOUDSCZDH-UHFFFAOYSA-N

Compound name

N-[2-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-(propylamino)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 337.17902 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]+	338.186296	179.9
[M+Na]+	360.168238	183.9
[M-H]-	336.171744	183.7
[M+NH4]+	355.212843	191.4
[M+K]+	376.142178	177.9
[M+H-H2O]+	320.176280	170.4
[M+HCOO]-	382.177221	198.1
[M+CH3COO]-	396.192871	215.0
[M+Na-2H]-	358.153686	183.5
[M]+	337.17847142	176.2
[M]-	337.17956858	176.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.