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2-[[4-[4-(1-adamantyl)piperazin-1-yl]-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
SpectraBase Compound ID LVF0WMG1aAx
InChI InChI=1S/C26H34F3N7O2/c27-26(28,29)38-21-3-1-20(2-4-21)31-23-32-22(30-5-10-37)33-24(34-23)35-6-8-36(9-7-35)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-4,17-19,37H,5-16H2,(H2,30,31,32,33,34)/t17-,18+,19-,25-
InChIKey AKPRRTFOJQTPCA-DXSJEHQWSA-N
Mol Weight 533.6 g/mol
Molecular Formula C26H34F3N7O2
Exact Mass 533.272608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B38mFd927V2
Name 2-[[4-[4-(1-adamantyl)piperazin-1-yl]-6-[4-(trifluoromethoxy)anilino]-1,3,5-triazin-2-yl]amino]ethanol
Alternate Name(s) 2-[[4-[4-(1-adamantyl)piperazin-1-yl]-6-[[4-(trifluoromethyloxy)phenyl]amino]-1,3,5-triazin-2-yl]amino]ethanol 2-[[4-[4-(1-adamantyl)piperazino]-6-[4-(trifluoromethoxy)anilino]-s-triazin-2-yl]amino]ethanol
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Formula C26H34F3N7O2
InChI InChI=1S/C26H34F3N7O2/c27-26(28,29)38-21-3-1-20(2-4-21)31-23-32-22(30-5-10-37)33-24(34-23)35-6-8-36(9-7-35)25-14-17-11-18(15-25)13-19(12-17)16-25/h1-4,17-19,37H,5-16H2,(H2,30,31,32,33,34)/t17-,18+,19-,25-
InChIKey AKPRRTFOJQTPCA-DXSJEHQWSA-N
Molecular Weight 533.600 g/mol
SMILES N(c1nc(nc(n1)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1)NCCO)c1ccc(OC(F)(F)F)cc1
SPLASH splash10-002o-4934000000-dbd5a449797a6fd01972
Wiley ID 1465036