CID 25755

13174-08-8

Structural Information

Molecular Formula

C₁₉H₂₅NO₂

SMILES

CC(CC1=CC=CC=C1)NCCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C19H25NO2/c1-15(13-16-7-5-4-6-8-16)20-12-11-17-9-10-18(21-2)19(14-17)22-3/h4-10,14-15,20H,11-13H2,1-3H3

InChIKey

VPKDLNNTEIYYSJ-UHFFFAOYSA-N

Compound name

N-[2-(3,4-dimethoxyphenyl)ethyl]-1-phenylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 299.18854 Da
Monoisotopic Mass: 3.7
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]+	300.195816	173.6
[M+Na]+	322.177758	178.5
[M-H]-	298.181264	179.6
[M+NH4]+	317.222363	188.3
[M+K]+	338.151698	175.1
[M+H-H2O]+	282.185800	164.9
[M+HCOO]-	344.186741	196.7
[M+CH3COO]-	358.202391	209.0
[M+Na-2H]-	320.163206	176.6
[M]+	299.18799142	176.6
[M]-	299.18908858	176.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe