CID 4328831

477333-91-8

Structural Information

Molecular Formula

C₂₀H₁₇NO₃

SMILES

C1OC2=C(O1)C=C(C=C2)NCCC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H17NO3/c22-18(16-6-5-14-3-1-2-4-15(14)11-16)9-10-21-17-7-8-19-20(12-17)24-13-23-19/h1-8,11-12,21H,9-10,13H2

InChIKey

OJPOSRJENOZSKA-UHFFFAOYSA-N

Compound name

3-(1,3-benzodioxol-5-ylamino)-1-naphthalen-2-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 319.12085 Da
Monoisotopic Mass: 4.8
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]+	320.128126	172.9
[M+Na]+	342.110068	179.5
[M-H]-	318.113574	182.3
[M+NH4]+	337.154673	187.5
[M+K]+	358.084008	176.9
[M+H-H2O]+	302.118110	165.1
[M+HCOO]-	364.119051	192.9
[M+CH3COO]-	378.134701	184.3
[M+Na-2H]-	340.095516	179.1
[M]+	319.12030142	175.1
[M]-	319.12139858	175.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.