CID 211938

23771-32-6

Structural Information

Molecular Formula

C₂₀H₂₄N₂O₂

SMILES

COC1=CC=CC=C1N2CCN(CC2)CCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H24N2O2/c1-24-20-10-6-5-9-18(20)22-15-13-21(14-16-22)12-11-19(23)17-7-3-2-4-8-17/h2-10H,11-16H2,1H3

InChIKey

HSQVZFKXMAGWDA-UHFFFAOYSA-N

Compound name

3-[4-(2-methoxyphenyl)piperazin-1-yl]-1-phenylpropan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 324.18378 Da
Monoisotopic Mass: 3.1
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]+	325.19106	179.5
[M+Na]+	347.17300	183.2
[M-H]-	323.17650	184.9
[M+NH4]+	342.21760	189.7
[M+K]+	363.14694	178.4
[M+H-H2O]+	307.18104	168.1
[M+HCOO]-	369.18198	195.6
[M+CH3COO]-	383.19763	208.6
[M+Na-2H]-	345.15845	181.1
[M]+	324.18323	176.7
[M]-	324.18433	176.7

Literature stripe

literature stripe

Patent stripe

patents stripe