CID 200382

22231-61-4

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

COC1=C(C=CC(=C1)CCN)OCC2=CC=CC=C2

InChI

InChI=1S/C16H19NO2/c1-18-16-11-13(9-10-17)7-8-15(16)19-12-14-5-3-2-4-6-14/h2-8,11H,9-10,12,17H2,1H3

InChIKey

GLMWLELOJCRYRI-UHFFFAOYSA-N

Compound name

2-(3-methoxy-4-phenylmethoxyphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 204
Patents: 257.14157 Da
Monoisotopic Mass: 2.4
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]+	258.14885	160.6
[M+Na]+	280.13079	174.5
[M+NH4]+	275.17539	169.2
[M+K]+	296.10473	166.2
[M-H]-	256.13429	165.9
[M+Na-2H]-	278.11624	169.7
[M]+	257.14102	164.1
[M]-	257.14212	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe