CID 218351

40502-73-6

Structural Information

Molecular Formula

C₂₃H₃₂N₂O

SMILES

CCC(C1=CC=CC=C1)(C(CC2=CC=CC=C2)CN3CCN(CC3)C)O

InChI

InChI=1S/C23H32N2O/c1-3-23(26,21-12-8-5-9-13-21)22(18-20-10-6-4-7-11-20)19-25-16-14-24(2)15-17-25/h4-13,22,26H,3,14-19H2,1-2H3

InChIKey

XGYLNPIJMWASIB-UHFFFAOYSA-N

Compound name

2-benzyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 352.25146 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]+	353.258736	190.2
[M+Na]+	375.240678	191.4
[M-H]-	351.244184	193.5
[M+NH4]+	370.285283	198.5
[M+K]+	391.214618	185.6
[M+H-H2O]+	335.248720	179.1
[M+HCOO]-	397.249661	201.7
[M+CH3COO]-	411.265311	212.9
[M+Na-2H]-	373.226126	191.4
[M]+	352.25091142	185.0
[M]-	352.25200858	185.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.