CID 3060007

N-(1-methyl-2-(4-benzylpiperazino)ethyl)propionanilide dioxalate

Structural Information

Molecular Formula

C₂₃H₃₁N₃O

SMILES

CCC(=O)N(C1=CC=CC=C1)C(C)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C23H31N3O/c1-3-23(27)26(22-12-8-5-9-13-22)20(2)18-24-14-16-25(17-15-24)19-21-10-6-4-7-11-21/h4-13,20H,3,14-19H2,1-2H3

InChIKey

SXBIBVXMYNIUAX-UHFFFAOYSA-N

Compound name

N-[1-(4-benzylpiperazin-1-yl)propan-2-yl]-N-phenylpropanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 365.2467 Da
Monoisotopic Mass: 3.5
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]+	366.253976	192.3
[M+Na]+	388.235918	192.8
[M-H]-	364.239424	198.2
[M+NH4]+	383.280523	200.8
[M+K]+	404.209858	188.6
[M+H-H2O]+	348.243960	180.1
[M+HCOO]-	410.244901	207.7
[M+CH3COO]-	424.260551	222.6
[M+Na-2H]-	386.221366	191.9
[M]+	365.24615142	188.7
[M]-	365.24724858	188.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.