CID 3058713

75510-02-0

Structural Information

Molecular Formula

C₁₅H₁₆N₂

SMILES

C1CN(CC2=C1N=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C15H16N2/c1-2-5-13(6-3-1)11-17-10-8-15-14(12-17)7-4-9-16-15/h1-7,9H,8,10-12H2

InChIKey

OGXKXWUYFHASPY-UHFFFAOYSA-N

Compound name

6-benzyl-7,8-dihydro-5H-1,6-naphthyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 224.13135 Da
Monoisotopic Mass: 2.3
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]+	225.138626	151.1
[M+Na]+	247.120568	157.6
[M-H]-	223.124074	154.9
[M+NH4]+	242.165173	167.0
[M+K]+	263.094508	152.5
[M+H-H2O]+	207.128610	141.5
[M+HCOO]-	269.129551	169.3
[M+CH3COO]-	283.145201	162.2
[M+Na-2H]-	245.106016	159.1
[M]+	224.13080142	147.6
[M]-	224.13189858	147.6

Literature stripe

literature stripe

Patent stripe

patents stripe