CID 3070941

87203-66-5

Structural Information

Molecular Formula

C₁₈H₂₃NO₂

SMILES

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

InChI

InChI=1S/C18H23NO2/c1-13-5-8-15(9-6-13)16(19-2)11-14-7-10-17(20-3)18(12-14)21-4/h5-10,12,16,19H,11H2,1-4H3

InChIKey

UDJHWAHWOBCTPZ-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 285.17288 Da
Monoisotopic Mass: 3.2
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]+	286.180156	168.8
[M+Na]+	308.162098	175.1
[M-H]-	284.165604	175.5
[M+NH4]+	303.206703	184.5
[M+K]+	324.136038	172.0
[M+H-H2O]+	268.170140	160.6
[M+HCOO]-	330.171081	192.2
[M+CH3COO]-	344.186731	207.3
[M+Na-2H]-	306.147546	171.6
[M]+	285.17233142	171.9
[M]-	285.17342858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe