CID 3070937

87203-61-0

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

CC1=CC=C(C=C1)C(CC2=CC(=C(C=C2)OC)OC)N

InChI

InChI=1S/C17H21NO2/c1-12-4-7-14(8-5-12)15(18)10-13-6-9-16(19-2)17(11-13)20-3/h4-9,11,15H,10,18H2,1-3H3

InChIKey

KFDBOENRVXPIPH-UHFFFAOYSA-N

Compound name

2-(3,4-dimethoxyphenyl)-1-(4-methylphenyl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.15723 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]+	272.164506	164.8
[M+Na]+	294.146448	171.7
[M-H]-	270.149954	171.3
[M+NH4]+	289.191053	180.9
[M+K]+	310.120388	168.4
[M+H-H2O]+	254.154490	156.9
[M+HCOO]-	316.155431	188.0
[M+CH3COO]-	330.171081	203.7
[M+Na-2H]-	292.131896	167.2
[M]+	271.15668142	166.7
[M]-	271.15777858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe