CID 191408

Einecs 275-305-7

Structural Information

Molecular Formula

C₁₉H₂₀N₂

SMILES

C1CN(CCC1(C#N)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C19H20N2/c20-16-19(18-9-5-2-6-10-18)11-13-21(14-12-19)15-17-7-3-1-4-8-17/h1-10H,11-15H2

InChIKey

AUBONLVMDCVPQE-UHFFFAOYSA-N

Compound name

1-benzyl-4-phenylpiperidine-4-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 165
Patents: 276.16266 Da
Monoisotopic Mass: 3.5
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]+	277.16994	169.2
[M+Na]+	299.15188	177.2
[M-H]-	275.15538	174.5
[M+NH4]+	294.19648	183.2
[M+K]+	315.12582	168.3
[M+H-H2O]+	259.15992	153.2
[M+HCOO]-	321.16086	184.3
[M+CH3COO]-	335.17651	177.9
[M+Na-2H]-	297.13733	173.4
[M]+	276.16211	159.3
[M]-	276.16321	159.3

Literature stripe

literature stripe

Patent stripe

patents stripe