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PIA 3AC                              @
SpectraBase Compound ID 5SNAbcdvqQa
InChI InChI=1S/C25H29N5O7/c1-14(10-18-8-6-5-7-9-18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(36-17(4)33)21(35-16(3)32)19(37-25)11-34-15(2)31/h5-9,12-14,19,21-22,25H,10-11H2,1-4H3,(H,26,27,29)
InChIKey NGJIXTUFXXYQMN-UHFFFAOYSA-N
Mol Weight 511.54 g/mol
Molecular Formula C25H29N5O7
Exact Mass 511.206698 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2sPEdzO1DD8
Name PIA 3AC @
Classification Adenosine receptor agonist
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Exact Mass 511.206698287 u
Formula C25H29N5O7
InChI InChI=1S/C25H29N5O7/c1-14(10-18-8-6-5-7-9-18)29-23-20-24(27-12-26-23)30(13-28-20)25-22(36-17(4)33)21(35-16(3)32)19(37-25)11-34-15(2)31/h5-9,12-14,19,21-22,25H,10-11H2,1-4H3,(H,26,27,29)
InChIKey NGJIXTUFXXYQMN-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 511.535 g/mol
Related CAS Registry Number(s) 38594-96-6
SMILES C1(OC(COC(=O)C)C(OC(C)=O)C1OC(C)=O)[n]1c2ncnc(NC(Cc3ccccc3)C)c2nc1
SPLASH splash10-03k9-2910400000-13bc7c5065274407093e
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms N-Phenylisopropyl-adenosine 3AC N-Phenylisopropyl-adenosine 3AC
Technique GC/MS
Wiley ID MMPW6e_3090