CID 3040723

Piperidine, 1-(3-(diphenylamino)propyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₀H₂₆N₂

SMILES

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

InChI

InChI=1S/C20H26N2/c1-4-11-19(12-5-1)22(20-13-6-2-7-14-20)18-10-17-21-15-8-3-9-16-21/h1-2,4-7,11-14H,3,8-10,15-18H2

InChIKey

HGTCTXUCJDZCDT-UHFFFAOYSA-N

Compound name

N-phenyl-N-(3-piperidin-1-ylpropyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 294.2096 Da
Monoisotopic Mass: 4.8
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]+	295.216876	172.1
[M+Na]+	317.198818	173.4
[M-H]-	293.202324	179.3
[M+NH4]+	312.243423	184.9
[M+K]+	333.172758	168.9
[M+H-H2O]+	277.206860	161.0
[M+HCOO]-	339.207801	191.5
[M+CH3COO]-	353.223451	181.1
[M+Na-2H]-	315.184266	176.0
[M]+	294.20905142	167.0
[M]-	294.21014858	167.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe