CID 100775

1-(p-anilinobenzyl)piperidine

Structural Information

Molecular Formula

C₁₈H₂₂N₂

SMILES

C1CCN(CC1)CC2=CC=C(C=C2)NC3=CC=CC=C3

InChI

InChI=1S/C18H22N2/c1-3-7-17(8-4-1)19-18-11-9-16(10-12-18)15-20-13-5-2-6-14-20/h1,3-4,7-12,19H,2,5-6,13-15H2

InChIKey

WYLXNOXBORNKPU-UHFFFAOYSA-N

Compound name

N-phenyl-4-(piperidin-1-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 266.17828 Da
Monoisotopic Mass: 4.1
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]+	267.185556	163.0
[M+Na]+	289.167498	166.2
[M-H]-	265.171004	169.7
[M+NH4]+	284.212103	176.8
[M+K]+	305.141438	160.8
[M+H-H2O]+	249.175540	152.9
[M+HCOO]-	311.176481	182.8
[M+CH3COO]-	325.192131	172.8
[M+Na-2H]-	287.152946	168.2
[M]+	266.17773142	156.6
[M]-	266.17882858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe