CID 201568

Alpha-benzyl-n-methylveratrylamine hydrochloride

Structural Information

Molecular Formula

C₁₇H₂₁NO₂

SMILES

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

InChI

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

InChIKey

GYJOCHRATGGAMO-UHFFFAOYSA-N

Compound name

1-(3,4-dimethoxyphenyl)-N-methyl-2-phenylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 271.15723 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]+	272.164506	164.3
[M+Na]+	294.146448	170.2
[M-H]-	270.149954	170.8
[M+NH4]+	289.191053	180.3
[M+K]+	310.120388	167.2
[M+H-H2O]+	254.154490	156.1
[M+HCOO]-	316.155431	188.1
[M+CH3COO]-	330.171081	203.1
[M+Na-2H]-	292.131896	168.4
[M]+	271.15668142	166.7
[M]-	271.15777858	166.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe