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Fumiquinazoline

View entire compound with spectra: 3 MS (GC)

Fumiquinazoline
SpectraBase Compound ID 7MPt4j94uJj
InChI InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1
InChIKey SUVZUTHVKIBYOH-KPZWWZAWSA-N
Mol Weight 358.4 g/mol
Molecular Formula C21H18N4O2
Exact Mass 358.142976 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FYgV2x4MdCQ
Name Fumiquinazoline
Alternate Name(s) (1S,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-dione (1S,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2,4-dihydro-1H-pyrazino[2,1-b]quinazoline-3,6-quinone (1S,4R)-4-(1H-indol-3-ylmethyl)-1-methyl-2H-pyrazino[2,1-b]quinazoline-3,6(1H,4H)-dione
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Formula C21H18N4O2
InChI InChI=1S/C21H18N4O2/c1-12-19-24-17-9-5-3-7-15(17)21(27)25(19)18(20(26)23-12)10-13-11-22-16-8-4-2-6-14(13)16/h2-9,11-12,18,22H,10H2,1H3,(H,23,26)/t12-,18+/m0/s1
InChIKey SUVZUTHVKIBYOH-KPZWWZAWSA-N
Molecular Weight 358.401 g/mol
SMILES N1[C@](C=2N([C@](Cc3c[nH]c4c3cccc4)(C1=O)[H])C(c1c(N2)cccc1)=O)(C)[H]
SPLASH splash10-053r-0905000000-dd8105ccd6077d79b544
Source of Spectrum G4-61-1156-1
Wiley ID 1607446