Vasicinone

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Systematic / IUPAC Name: (3S)-3-Hydroxy-2,3-dihydropyrrolo[2,1-b]quinazolin-9(1H)-one

ID: Reference5842

Other Names: (3S)-3-Hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-, (3S)-

Formula: C11H10N2O2

Class: Endogenous Metabolites

Spectral Data

Vasicinone mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

View Mass Spectra

Available MS Data

Used Instruments Q Exactive Orbitrap
No. of Spectral Trees 1
No. of Spectra 119
Tandem Spectra MS1, MS2
Ionization Methods ESI
Analyzers FT
Last Modification 10/27/2016 8:12:36 AM
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Identificators

InChI InChI=1S/C11H10N2O2/c14-9-5-6-13-10(9)12-8-4-2-1-3-7(8)11(13)15/h1-4,9,14H,5-6H2/t9-/m0/s1
InChI Key SDIVYZXRQHWCKF-VIFPVBQESA-N
Canonical SMILES C1CN2C(=NC3=CC=CC=C3C2=O)C1O
CAS 486646
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Other Names (3S)-3-Hydroxy-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-9-one;
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3-dihydro-3-hydroxy-, (3S)-

In Other Databases

KEGG C10744
ChEBI CHEBI:9936
ChemSpider 391238
ChEMBL CHEMBL3120244
PubChem 442935
Wikipedia Vasicinone