CID 154699575

Ns00117332

Structural Information

Molecular Formula

C₁₉H₂₁NO₄

SMILES

CNCCC(C1=CC=CO1)OC2=CC=CC3=C2C=CC(=C3O)OC

InChI

InChI=1S/C19H21NO4/c1-20-11-10-17(16-7-4-12-23-16)24-15-6-3-5-14-13(15)8-9-18(22-2)19(14)21/h3-9,12,17,20-21H,10-11H2,1-2H3

InChIKey

DVRXANQWPAEONA-UHFFFAOYSA-N

Compound name

5-[1-(furan-2-yl)-3-(methylamino)propoxy]-2-methoxynaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 327.14706 Da
Monoisotopic Mass: 3.3
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]+	328.154336	176.1
[M+Na]+	350.136278	183.5
[M-H]-	326.139784	183.6
[M+NH4]+	345.180883	190.7
[M+K]+	366.110218	181.0
[M+H-H2O]+	310.144320	168.4
[M+HCOO]-	372.145261	199.1
[M+CH3COO]-	386.160911	209.4
[M+Na-2H]-	348.121726	180.4
[M]+	327.14651142	182.2
[M]-	327.14760858	182.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.