CID 55232

Brn 4526541

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

C1CN(CCN1CCCOC2=CC=CC=C2C=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c23-17-18-7-4-5-10-20(18)24-16-6-11-21-12-14-22(15-13-21)19-8-2-1-3-9-19/h1-5,7-10,17H,6,11-16H2

InChIKey

KYANSQIWFIOLIH-UHFFFAOYSA-N

Compound name

2-[3-(4-phenylpiperazin-1-yl)propoxy]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 324.18378 Da
Monoisotopic Mass: 3.3
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]+	325.191056	179.6
[M+Na]+	347.172998	183.6
[M-H]-	323.176504	184.8
[M+NH4]+	342.217603	189.8
[M+K]+	363.146938	178.2
[M+H-H2O]+	307.181040	167.9
[M+HCOO]-	369.181981	196.6
[M+CH3COO]-	383.197631	207.8
[M+Na-2H]-	345.158446	182.3
[M]+	324.18323142	177.3
[M]-	324.18432858	177.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe