CID 57799

N,n-diethyl-6-methoxy-3-phenyl-2-benzofuranmethylamine hydrochloride

Structural Information

Molecular Formula

C₂₀H₂₃NO₂

SMILES

CCN(CC)CC1=C(C2=C(O1)C=C(C=C2)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H23NO2/c1-4-21(5-2)14-19-20(15-9-7-6-8-10-15)17-12-11-16(22-3)13-18(17)23-19/h6-13H,4-5,14H2,1-3H3

InChIKey

FHZLVICLCVFBSM-UHFFFAOYSA-N

Compound name

N-ethyl-N-[(6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 309.17288 Da
Monoisotopic Mass: 4.5
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]+	310.180156	175.3
[M+Na]+	332.162098	183.7
[M-H]-	308.165604	185.4
[M+NH4]+	327.206703	192.3
[M+K]+	348.136038	181.1
[M+H-H2O]+	292.170140	167.3
[M+HCOO]-	354.171081	200.6
[M+CH3COO]-	368.186731	212.9
[M+Na-2H]-	330.147546	179.6
[M]+	309.17233142	182.6
[M]-	309.17342858	182.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.