CID 3066008

109376-96-7

Structural Information

Molecular Formula

C₂₀H₃₉N₅O₂

SMILES

CN1CCN(CC1)CC(CN2CCN(CC2)C(=O)CCN3CCCCC3)O

InChI

InChI=1S/C20H39N5O2/c1-21-9-11-23(12-10-21)17-19(26)18-24-13-15-25(16-14-24)20(27)5-8-22-6-3-2-4-7-22/h19,26H,2-18H2,1H3

InChIKey

LECADJUFNHOOPJ-UHFFFAOYSA-N

Compound name

1-[4-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]piperazin-1-yl]-3-piperidin-1-ylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 381.31036 Da
Monoisotopic Mass: -0.4
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]+	382.317636	201.3
[M+Na]+	404.299578	198.3
[M-H]-	380.303084	198.8
[M+NH4]+	399.344183	203.8
[M+K]+	420.273518	193.9
[M+H-H2O]+	364.307620	187.8
[M+HCOO]-	426.308561	202.1
[M+CH3COO]-	440.324211	217.3
[M+Na-2H]-	402.285026	195.3
[M]+	381.30981142	189.2
[M]-	381.31090858	189.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.