CID 3070944

87203-68-7

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

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

InChI

InChI=1S/C19H25NO2/c1-14-6-9-16(10-7-14)17(20(2)3)12-15-8-11-18(21-4)19(13-15)22-5/h6-11,13,17H,12H2,1-5H3

InChIKey

MNESLPXBCJLSPT-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 299.18854 Da
Monoisotopic Mass: 3.6
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]+	300.195816	173.2
[M+Na]+	322.177758	179.2
[M-H]-	298.181264	181.2
[M+NH4]+	317.222363	188.9
[M+K]+	338.151698	177.3
[M+H-H2O]+	282.185800	164.6
[M+HCOO]-	344.186741	196.8
[M+CH3COO]-	358.202391	213.7
[M+Na-2H]-	320.163206	174.7
[M]+	299.18799142	177.9
[M]-	299.18908858	177.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe