CID 23737906

450363-95-8

Structural Information

Molecular Formula

C₂₀H₂₁NO₃

SMILES

COC1=CC=CC=C1NCC(COC2=CC=CC3=CC=CC=C32)O

InChI

InChI=1S/C20H21NO3/c1-23-20-11-5-4-10-18(20)21-13-16(22)14-24-19-12-6-8-15-7-2-3-9-17(15)19/h2-12,16,21-22H,13-14H2,1H3

InChIKey

AVHHNKJMHJEWLN-UHFFFAOYSA-N

Compound name

1-(2-methoxyanilino)-3-naphthalen-1-yloxypropan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 323.15213 Da
Monoisotopic Mass: 4.2
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]+	324.159406	175.5
[M+Na]+	346.141348	180.6
[M-H]-	322.144854	181.1
[M+NH4]+	341.185953	189.1
[M+K]+	362.115288	176.2
[M+H-H2O]+	306.149390	166.6
[M+HCOO]-	368.150331	196.6
[M+CH3COO]-	382.165981	209.4
[M+Na-2H]-	344.126796	180.9
[M]+	323.15158142	177.1
[M]-	323.15267858	177.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.