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4-(7'-bromo-1',5'-naphthyridin-4'-ylamino)-3-methyl-2,6-bis(piperidin-1''-ylmethyl)phenol
SpectraBase Compound ID iZWR3XFkoo
InChI InChI=1S/C27H34BrN5O/c1-19-22(18-33-12-6-3-7-13-33)27(34)20(17-32-10-4-2-5-11-32)14-24(19)31-23-8-9-29-25-15-21(28)16-30-26(23)25/h8-9,14-16,34H,2-7,10-13,17-18H2,1H3,(H,29,31)
InChIKey ICSPDIIQRKFHHF-UHFFFAOYSA-N
Mol Weight 524.5 g/mol
Molecular Formula C27H34BrN5O
Exact Mass 523.194674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Dk4uEiNSSn
Name 4-(7'-bromo-1',5'-naphthyridin-4'-ylamino)-3-methyl-2,6-bis(piperidin-1''-ylmethyl)phenol
Comments Less than 3 mono-isotopic peaks
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Formula C27H34BrN5O
InChI InChI=1S/C27H34BrN5O/c1-19-22(18-33-12-6-3-7-13-33)27(34)20(17-32-10-4-2-5-11-32)14-24(19)31-23-8-9-29-25-15-21(28)16-30-26(23)25/h8-9,14-16,34H,2-7,10-13,17-18H2,1H3,(H,29,31)
InChIKey ICSPDIIQRKFHHF-UHFFFAOYSA-N
Molecular Weight 524.507 g/mol
SMILES N(c1cc(c(c(c1C)CN1CCCCC1)O)CN1CCCCC1)c1c2ncc(cc2ncc1)Br
SPLASH splash10-00i0-0000090000-808596b1d87400525616
Source of Spectrum B-44-151-0
Synonyms 4-(7'-Bromo-1',5'-maphthyridin-4'-ylamino)-3-methyl-2,6-bis(piperidin-1''-ylmethyl)phenol 4-[(7-bromo[1,5]naphthyridin-4-yl)amino]-3-methyl-2,6-bis(1-piperidinylmethyl)phenol
Wiley ID 1402382