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4-methoxybenzylamine (4-methoxyphenyl)methyl]-4-trifluoromethyl-9H-pyrimido[4,5-b]indol-2-amine
SpectraBase Compound ID K5g8pNkluzV
InChI InChI=1S/C21H19F3N4O2/c1-28-16-9-8-14(30-3)10-15(16)17-18(21(22,23)24)26-20(27-19(17)28)25-11-12-4-6-13(29-2)7-5-12/h4-10H,11H2,1-3H3,(H,25,26,27)
InChIKey HYMANUCBCJFHHV-UHFFFAOYSA-N
Mol Weight 416.4 g/mol
Molecular Formula C21H19F3N4O2
Exact Mass 416.14601 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GIj8NisM3zd
Name 4-methoxybenzylamine (4-methoxyphenyl)methyl]-4-trifluoromethyl-9H-pyrimido[4,5-b]indol-2-amine
Appearance Light yellow crystals
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Formula C21H19F3N4O2
InChI InChI=1S/C21H19F3N4O2/c1-28-16-9-8-14(30-3)10-15(16)17-18(21(22,23)24)26-20(27-19(17)28)25-11-12-4-6-13(29-2)7-5-12/h4-10H,11H2,1-3H3,(H,25,26,27)
InChIKey HYMANUCBCJFHHV-UHFFFAOYSA-N
Ionization Type EI
Molecular Weight 416.404 g/mol
SMILES N(c1nc(c2c3c([n](C)c2n1)ccc(c3)OC)C(F)(F)F)Cc1ccc(cc1)OC
SPLASH splash10-00xr-0910800000-4e4a59b2dd6176851334
Source of Spectrum RU2625316C1
Wiley ID 1855343