CID 3059175

6-(2-phenylethyl)-5,6,7,8-tetrahydro-1,6-naphthyridine

Structural Information

Molecular Formula

C₁₆H₁₈N₂

SMILES

C1CN(CC2=C1N=CC=C2)CCC3=CC=CC=C3

InChI

InChI=1S/C16H18N2/c1-2-5-14(6-3-1)8-11-18-12-9-16-15(13-18)7-4-10-17-16/h1-7,10H,8-9,11-13H2

InChIKey

DQRHPZFUHJETIA-UHFFFAOYSA-N

Compound name

6-(2-phenylethyl)-7,8-dihydro-5H-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 238.147 Da
Monoisotopic Mass: 2.7
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]+	239.154276	155.7
[M+Na]+	261.136218	161.7
[M-H]-	237.139724	159.3
[M+NH4]+	256.180823	171.0
[M+K]+	277.110158	156.4
[M+H-H2O]+	221.144260	145.8
[M+HCOO]-	283.145201	173.5
[M+CH3COO]-	297.160851	166.3
[M+Na-2H]-	259.121666	163.0
[M]+	238.14645142	152.5
[M]-	238.14754858	152.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe