CID 28419052

1-benzyl-1,2,3,4-tetrahydroquinolin-6-amine dihydrochloride

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

C1CC2=C(C=CC(=C2)N)N(C1)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N2/c17-15-8-9-16-14(11-15)7-4-10-18(16)12-13-5-2-1-3-6-13/h1-3,5-6,8-9,11H,4,7,10,12,17H2

InChIKey

GSZJPCZHEBIRBW-UHFFFAOYSA-N

Compound name

1-benzyl-3,4-dihydro-2H-quinolin-6-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 238.147 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]+	239.154276	154.8
[M+Na]+	261.136218	161.0
[M-H]-	237.139724	159.8
[M+NH4]+	256.180823	171.3
[M+K]+	277.110158	155.5
[M+H-H2O]+	221.144260	146.0
[M+HCOO]-	283.145201	174.5
[M+CH3COO]-	297.160851	165.9
[M+Na-2H]-	259.121666	161.0
[M]+	238.14645142	150.0
[M]-	238.14754858	150.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe