CID 3040748

Brn 1175363

Structural Information

Molecular Formula

C₂₃H₂₆FN₃O₂

SMILES

CCN1C(=C(OC1=O)CCN2CCN(CC2)C3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H26FN3O2/c1-2-27-22(18-8-10-19(24)11-9-18)21(29-23(27)28)12-13-25-14-16-26(17-15-25)20-6-4-3-5-7-20/h3-11H,2,12-17H2,1H3

InChIKey

ZLGWHWYWFMOVJY-UHFFFAOYSA-N

Compound name

3-ethyl-4-(4-fluorophenyl)-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3-oxazol-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 395.2009 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]+	396.208176	197.9
[M+Na]+	418.190118	204.8
[M-H]-	394.193624	205.5
[M+NH4]+	413.234723	204.8
[M+K]+	434.164058	198.5
[M+H-H2O]+	378.198160	184.6
[M+HCOO]-	440.199101	212.5
[M+CH3COO]-	454.214751	206.1
[M+Na-2H]-	416.175566	195.6
[M]+	395.20035142	196.2
[M]-	395.20144858	196.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.