CID 778123

4-methoxy-n-[2-(piperazin-1-yl)ethyl]benzamide

Structural Information

Molecular Formula

C₁₄H₂₁N₃O₂

SMILES

COC1=CC=C(C=C1)C(=O)NCCN2CCNCC2

InChI

InChI=1S/C14H21N3O2/c1-19-13-4-2-12(3-5-13)14(18)16-8-11-17-9-6-15-7-10-17/h2-5,15H,6-11H2,1H3,(H,16,18)

InChIKey

NCNLEUREKPXHPR-UHFFFAOYSA-N

Compound name

4-methoxy-N-(2-piperazin-1-ylethyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 263.1634 Da
Monoisotopic Mass: 0.6
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]+	264.170676	162.6
[M+Na]+	286.152618	165.6
[M-H]-	262.156124	163.8
[M+NH4]+	281.197223	174.8
[M+K]+	302.126558	162.0
[M+H-H2O]+	246.160660	153.1
[M+HCOO]-	308.161601	179.1
[M+CH3COO]-	322.177251	195.4
[M+Na-2H]-	284.138066	165.8
[M]+	263.16285142	157.6
[M]-	263.16394858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.