CID 3068616

83658-20-2

Structural Information

Molecular Formula

C₁₇H₁₈N₂

SMILES

C1C(N=C(C2=CC=CC=C21)C3=CC=CC=C3)CCN

InChI

InChI=1S/C17H18N2/c18-11-10-15-12-14-8-4-5-9-16(14)17(19-15)13-6-2-1-3-7-13/h1-9,15H,10-12,18H2

InChIKey

ZVBVOPYABKPYKC-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 250.147 Da
Monoisotopic Mass: 2.8
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]+	251.154276	158.1
[M+Na]+	273.136218	164.9
[M-H]-	249.139724	163.4
[M+NH4]+	268.180823	174.3
[M+K]+	289.110158	159.0
[M+H-H2O]+	233.144260	149.2
[M+HCOO]-	295.145201	179.0
[M+CH3COO]-	309.160851	169.4
[M+Na-2H]-	271.121666	164.8
[M]+	250.14645142	155.1
[M]-	250.14754858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe