For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
MANSOURAMYCIN_D;3-(1-H-INDOL-3-YL)-7-METHYLAMINOISOQUINOLINE-5,8-DIONE
SpectraBase Compound ID 5m7CAslkYyJ
InChI InChI=1S/C18H13N3O2/c1-19-16-7-17(22)11-6-15(21-9-13(11)18(16)23)12-8-20-14-5-3-2-4-10(12)14/h2-9,19-20H,1H3
InChIKey WQVVFPYSLGPOOB-UHFFFAOYSA-N
Mol Weight 303.32 g/mol
Molecular Formula C18H13N3O2
Exact Mass 303.100777 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AHDHnY0nNCp
Name 3-(1H-indol-3-yl)-7-methylaminoisoquinoline-5,8-dione
Appearance Dark red solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H13N3O2
InChI InChI=1S/C18H13N3O2/c1-19-16-7-17(22)11-6-15(21-9-13(11)18(16)23)12-8-20-14-5-3-2-4-10(12)14/h2-9,19-20H,1H3
InChIKey WQVVFPYSLGPOOB-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1021/np900160g
Molecular Weight 303.321 g/mol
Reported Formula C18H13N3O2
SMILES N(C1=CC(c2cc(-c3c[nH]c4c3cccc4)ncc2C1=O)=O)C
SPLASH splash10-0zml-9204000000-9674324512b294d225d5
Source of Spectrum G4-72-2123-5
Synonyms Mansouramycin D
Thin-Layer Chromatography Rf = 0.60 (7% MeOH/CH2Cl2), Rf = 0.43 (5% MeOH/CH2Cl2)
Wiley ID 1872108