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4-[4-(1-adamantyl)-1-piperazinyl]-6-(1-piperidinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
SpectraBase Compound ID 31ohotQf5Ga
InChI InChI=1S/C29H38F3N7O/c30-29(31,32)40-24-6-4-23(5-7-24)33-25-34-26(37-8-2-1-3-9-37)36-27(35-25)38-10-12-39(13-11-38)28-17-20-14-21(18-28)16-22(15-20)19-28/h4-7,20-22H,1-3,8-19H2,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey GRTFDVHDBQLUHL-VXFDCQMPSA-N
Mol Weight 557.7 g/mol
Molecular Formula C29H38F3N7O
Exact Mass 557.308993 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 94BRlXaqYIT
Name 4-[4-(1-adamantyl)-1-piperazinyl]-6-(1-piperidinyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine
Alternate Name(s) 4-[4-(1-adamantyl)piperazin-1-yl]-6-(1-piperidyl)-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine 4-[4-(1-adamantyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethoxy)phenyl]-1,3,5-triazin-2-amine 4-[4-(1-adamantyl)piperazin-1-yl]-6-piperidin-1-yl-N-[4-(trifluoromethyloxy)phenyl]-1,3,5-triazin-2-amine [4-[4-(1-adamantyl)piperazino]-6-piperidino-s-triazin-2-yl]-[4-(trifluoromethoxy)phenyl]amine
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Formula C29H38F3N7O
InChI InChI=1S/C29H38F3N7O/c30-29(31,32)40-24-6-4-23(5-7-24)33-25-34-26(37-8-2-1-3-9-37)36-27(35-25)38-10-12-39(13-11-38)28-17-20-14-21(18-28)16-22(15-20)19-28/h4-7,20-22H,1-3,8-19H2,(H,33,34,35,36)/t20-,21+,22-,28-
InChIKey GRTFDVHDBQLUHL-VXFDCQMPSA-N
Molecular Weight 557.666 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)N1CCCCC1)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-015i-7938000000-8715b8fa0d47715e0f13
Wiley ID 1465033