CID 3064305

Piperidine, 1-(2-(dipiperonylamino)ethyl)-, dihydrochloride

Structural Information

Molecular Formula

C₂₃H₂₈N₂O₄

SMILES

C1CCN(CC1)CCN(CC2=CC3=C(C=C2)OCO3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H28N2O4/c1-2-8-24(9-3-1)10-11-25(14-18-4-6-20-22(12-18)28-16-26-20)15-19-5-7-21-23(13-19)29-17-27-21/h4-7,12-13H,1-3,8-11,14-17H2

InChIKey

PCRCISIBASFSLC-UHFFFAOYSA-N

Compound name

N,N-bis(1,3-benzodioxol-5-ylmethyl)-2-piperidin-1-ylethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 396.2049 Da
Monoisotopic Mass: 3.8
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]+	397.212176	192.6
[M+Na]+	419.194118	195.3
[M-H]-	395.197624	204.6
[M+NH4]+	414.238723	201.6
[M+K]+	435.168058	196.1
[M+H-H2O]+	379.202160	184.7
[M+HCOO]-	441.203101	206.0
[M+CH3COO]-	455.218751	201.4
[M+Na-2H]-	417.179566	193.1
[M]+	396.20435142	193.8
[M]-	396.20544858	193.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.