CID 16769297

1-(2,4-dimethoxybenzoyl)piperazine hydrochloride

Structural Information

Molecular Formula

C₁₃H₁₈N₂O₃

SMILES

COC1=CC(=C(C=C1)C(=O)N2CCNCC2)OC

InChI

InChI=1S/C13H18N2O3/c1-17-10-3-4-11(12(9-10)18-2)13(16)15-7-5-14-6-8-15/h3-4,9,14H,5-8H2,1-2H3

InChIKey

YLYIGLFJQOHNLD-UHFFFAOYSA-N

Compound name

(2,4-dimethoxyphenyl)-piperazin-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 250.13174 Da
Monoisotopic Mass: -0.2
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]+	251.139016	157.9
[M+Na]+	273.120958	163.1
[M-H]-	249.124464	159.8
[M+NH4]+	268.165563	171.3
[M+K]+	289.094898	160.4
[M+H-H2O]+	233.129000	149.1
[M+HCOO]-	295.129941	173.9
[M+CH3COO]-	309.145591	190.7
[M+Na-2H]-	271.106406	160.5
[M]+	250.13119142	155.1
[M]-	250.13228858	155.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe