CID 17954

N-(2-(1,4-benzodioxan-5-yloxy)ethyl)benzylamine hydrochloride

Structural Information

Molecular Formula

C₁₇H₁₉NO₃

SMILES

C1COC2=C(O1)C=CC=C2OCCNCC3=CC=CC=C3

InChI

InChI=1S/C17H19NO3/c1-2-5-14(6-3-1)13-18-9-10-19-15-7-4-8-16-17(15)21-12-11-20-16/h1-8,18H,9-13H2

InChIKey

FQMXTQIAQDTDHG-UHFFFAOYSA-N

Compound name

N-benzyl-2-(2,3-dihydro-1,4-benzodioxin-5-yloxy)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 285.1365 Da
Monoisotopic Mass: 2.7
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]+	286.143776	164.7
[M+Na]+	308.125718	169.5
[M-H]-	284.129224	172.5
[M+NH4]+	303.170323	177.9
[M+K]+	324.099658	168.3
[M+H-H2O]+	268.133760	155.9
[M+HCOO]-	330.134701	184.8
[M+CH3COO]-	344.150351	175.8
[M+Na-2H]-	306.111166	173.5
[M]+	285.13595142	165.8
[M]-	285.13704858	165.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe