CID 3043276

Brn 2743315

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CCOC1=CC=CC(=C1O)CNCCC2=CC=CC=C2

InChI

InChI=1S/C17H21NO2/c1-2-20-16-10-6-9-15(17(16)19)13-18-12-11-14-7-4-3-5-8-14/h3-10,18-19H,2,11-13H2,1H3

InChIKey

IQADSPHYHHRVJE-UHFFFAOYSA-N

Compound name

2-ethoxy-6-[(2-phenylethylamino)methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 271.15723 Da
Monoisotopic Mass: 3.8
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]+	272.164506	163.9
[M+Na]+	294.146448	169.6
[M-H]-	270.149954	168.9
[M+NH4]+	289.191053	179.2
[M+K]+	310.120388	165.2
[M+H-H2O]+	254.154490	155.8
[M+HCOO]-	316.155431	187.2
[M+CH3COO]-	330.171081	199.7
[M+Na-2H]-	292.131896	168.8
[M]+	271.15668142	165.0
[M]-	271.15777858	165.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe