CID 6248152

1-(2-fluorophenyl)-4-(3-(3-methylphenyl)acryloyl)piperazine

Structural Information

Molecular Formula

C₂₀H₂₁FN₂O

SMILES

CC1=CC(=CC=C1)/C=C/C(=O)N2CCN(CC2)C3=CC=CC=C3F

InChI

InChI=1S/C20H21FN2O/c1-16-5-4-6-17(15-16)9-10-20(24)23-13-11-22(12-14-23)19-8-3-2-7-18(19)21/h2-10,15H,11-14H2,1H3/b10-9+

InChIKey

ZEGMZFRARKLWRZ-MDZDMXLPSA-N

Compound name

(E)-1-[4-(2-fluorophenyl)piperazin-1-yl]-3-(3-methylphenyl)prop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 324.1638 Da
Monoisotopic Mass: 3.9
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]+	325.171076	179.3
[M+Na]+	347.153018	184.7
[M-H]-	323.156524	183.9
[M+NH4]+	342.197623	190.0
[M+K]+	363.126958	178.2
[M+H-H2O]+	307.161060	167.5
[M+HCOO]-	369.162001	194.4
[M+CH3COO]-	383.177651	208.3
[M+Na-2H]-	345.138466	179.5
[M]+	324.16325142	173.7
[M]-	324.16434858	173.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.