CID 2794176

148223-47-6

Structural Information

Molecular Formula

C₁₆H₁₉NO₂

SMILES

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

InChI

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

InChIKey

HGPYIHOTQGSJAJ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 63
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	159.8
[M+Na]+	280.13079	166.5
[M-H]-	256.13429	165.9
[M+NH4]+	275.17539	176.2
[M+K]+	296.10473	162.8
[M+H-H2O]+	240.13883	151.7
[M+HCOO]-	302.13977	184.4
[M+CH3COO]-	316.15542	198.6
[M+Na-2H]-	278.11624	164.7
[M]+	257.14102	161.5
[M]-	257.14212	161.5

Literature stripe

literature stripe

Patent stripe

patents stripe