CID 3069135

Brn 4530212

Structural Information

Molecular Formula

C₁₉H₂₃FN₂O

SMILES

C1CN(CCN1CCCOC2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C19H23FN2O/c20-17-7-9-19(10-8-17)23-16-4-11-21-12-14-22(15-13-21)18-5-2-1-3-6-18/h1-3,5-10H,4,11-16H2

InChIKey

GUOQPFNLBAXWIZ-UHFFFAOYSA-N

Compound name

1-[3-(4-fluorophenoxy)propyl]-4-phenylpiperazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 1
Patents: 314.17944 Da
Monoisotopic Mass: 4.0
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]+	315.18672	176.2
[M+Na]+	337.16866	180.6
[M-H]-	313.17216	180.2
[M+NH4]+	332.21326	187.0
[M+K]+	353.14260	174.9
[M+H-H2O]+	297.17670	163.9
[M+HCOO]-	359.17764	192.2
[M+CH3COO]-	373.19329	184.8
[M+Na-2H]-	335.15411	178.8
[M]+	314.17889	171.9
[M]-	314.17999	171.9

Literature stripe

literature stripe

Patent stripe

patents stripe