CID 3068618

83658-21-3

Structural Information

Molecular Formula

C₁₈H₂₀N₂

SMILES

CNCCC1CC2=CC=CC=C2C(=N1)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2/c1-19-12-11-16-13-15-9-5-6-10-17(15)18(20-16)14-7-3-2-4-8-14/h2-10,16,19H,11-13H2,1H3

InChIKey

TWDAUOYNEIAKBF-UHFFFAOYSA-N

Compound name

N-methyl-2-(1-phenyl-3,4-dihydroisoquinolin-3-yl)ethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 264.16266 Da
Monoisotopic Mass: 3.3
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]+	265.169936	162.1
[M+Na]+	287.151878	168.4
[M-H]-	263.155384	167.6
[M+NH4]+	282.196483	177.8
[M+K]+	303.125818	162.6
[M+H-H2O]+	247.159920	152.9
[M+HCOO]-	309.160861	183.1
[M+CH3COO]-	323.176511	173.1
[M+Na-2H]-	285.137326	169.2
[M]+	264.16211142	160.3
[M]-	264.16320858	160.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe