CID 65701

Picoperidamine

Structural Information

Molecular Formula

C₁₉H₂₅N₃

SMILES

C1CCN(CC1)CCN(CC2=CC=CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C19H25N3/c1-3-10-19(11-4-1)22(17-18-9-5-6-12-20-18)16-15-21-13-7-2-8-14-21/h1,3-6,9-12H,2,7-8,13-17H2

InChIKey

MVMXJBMAGBRAHD-UHFFFAOYSA-N

Compound name

N-(2-piperidin-1-ylethyl)-N-(pyridin-2-ylmethyl)aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 3
References: 2355
Patents: 295.20483 Da
Monoisotopic Mass: 3.4
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]+	296.212106	171.7
[M+Na]+	318.194048	173.4
[M-H]-	294.197554	177.7
[M+NH4]+	313.238653	183.1
[M+K]+	334.167988	169.0
[M+H-H2O]+	278.202090	159.8
[M+HCOO]-	340.203031	190.1
[M+CH3COO]-	354.218681	180.4
[M+Na-2H]-	316.179496	176.4
[M]+	295.20428142	166.8
[M]-	295.20537858	166.8

Literature stripe

literature stripe

Patent stripe

patents stripe