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2-(6-Aminopurin-9-yl)methyl-1-[(4-methoxyphenyl)methyl]aziridine
SpectraBase Compound ID 4ct1u2eueBD
InChI InChI=1S/C16H18N6O/c1-23-13-4-2-11(3-5-13)6-21-7-12(21)8-22-10-20-14-15(17)18-9-19-16(14)22/h2-5,9-10,12H,6-8H2,1H3,(H2,17,18,19)
InChIKey MHVNLFZWROWZPB-UHFFFAOYSA-N
Mol Weight 310.36 g/mol
Molecular Formula C16H18N6O
Exact Mass 310.154209 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 86NDoNsXihQ
Name 2-(6-Aminopurin-9-yl)methyl-1-[(4-methoxyphenyl)methyl]aziridine
Alternate Name(s) 9-[[1-[(4-methoxyphenyl)methyl]-2-aziridinyl]methyl]-6-purinamine 9-[[1-[(4-methoxyphenyl)methyl]aziridin-2-yl]methyl]purin-6-amine
Comments Less than 3 mono-isotopic peaks
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Formula C16H18N6O
InChI InChI=1S/C16H18N6O/c1-23-13-4-2-11(3-5-13)6-21-7-12(21)8-22-10-20-14-15(17)18-9-19-16(14)22/h2-5,9-10,12H,6-8H2,1H3,(H2,17,18,19)
InChIKey MHVNLFZWROWZPB-UHFFFAOYSA-N
Molecular Weight 310.361 g/mol
SMILES Nc1c2c([n](CC3N(C3)Cc3ccc(cc3)OC)cn2)ncn1
SPLASH splash10-03di-0009000000-50cdb04be8dfdcd6f8fd
Source of Spectrum F2-46-584-2c
Wiley ID 1690026