Metabolite [18F]AV-267 (N-acetyl–[18F]AV-160)

Name
[18F]AV-267 (N-acetyl–[18F]AV-160)
Description
Not Available
Structure
Synonyms
Not Available
UNII
QA68TUY9BJ
CAS number
Not Available
Weight
Average: 387.442
Monoisotopic: 387.18236996
Chemical Formula
C21H25FN2O4
InChI Key
KWNBGGMKKPCFDH-FWZJPQCDSA-N
InChI
InChI=1S/C21H25FN2O4/c1-17(25)24-20-7-4-18(5-8-20)2-3-19-6-9-21(23-16-19)28-15-14-27-13-12-26-11-10-22/h2-9,16H,10-15H2,1H3,(H,24,25)/b3-2+/i22-1
IUPAC Name
N-{4-[(E)-2-[6-(2-{2-[2-(¹⁸F)fluoroethoxy]ethoxy}ethoxy)pyridin-3-yl]ethenyl]phenyl}acetamide
SMILES
[H]\C(=C(\[H])C1=CN=C(OCCOCCOCC[18F])C=C1)C1=CC=C(NC(C)=O)C=C1
Reactions
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-000i-1019000000-8748a38b658ce751deeb
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0nml-9083000000-8a3cfe38246eebc196aa
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-01pt-3092000000-04168421ba182b64c064
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-1090000000-4468b372700a89035dec
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0079-0391000000-4e2768a122b666c02670
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0f79-2090000000-4791f90cb2d8034819ce
Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0131 mg/mLALOGPS
logP3.17ALOGPS
logP2.88Chemaxon
logS-4.5ALOGPS
pKa (Strongest Acidic)14.43Chemaxon
pKa (Strongest Basic)2.58Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count5Chemaxon
Hydrogen Donor Count1Chemaxon
Polar Surface Area69.68 Å2Chemaxon
Rotatable Bond Count12Chemaxon
Refractivity107.68 m3·mol-1Chemaxon
Polarizability43.38 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon