CID 202718

13150-57-7

Structural Information

Molecular Formula

C₂₀H₂₃N

SMILES

C1CCN(CC1)CC=C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H23N/c1-4-10-18(11-5-1)20(19-12-6-2-7-13-19)14-17-21-15-8-3-9-16-21/h1-2,4-7,10-14H,3,8-9,15-17H2

InChIKey

MOCURCBRVYTAME-UHFFFAOYSA-N

Compound name

1-(3,3-diphenylprop-2-enyl)piperidine

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 2
References: 1
Patents: 277.18304 Da
Monoisotopic Mass: 5.1
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]+	278.190316	168.4
[M+Na]+	300.172258	170.6
[M-H]-	276.175764	174.5
[M+NH4]+	295.216863	181.6
[M+K]+	316.146198	164.7
[M+H-H2O]+	260.180300	158.1
[M+HCOO]-	322.181241	185.5
[M+CH3COO]-	336.196891	177.4
[M+Na-2H]-	298.157706	171.4
[M]+	277.18249142	161.4
[M]-	277.18358858	161.4

Literature stripe

literature stripe

Patent stripe

patents stripe