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4-[4-(1-adamantyl)-1-piperazinyl]-N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
SpectraBase Compound ID BAo53q0zREd
InChI InChI=1S/C21H31F3N6O/c1-28(2)17-25-18(27-19(26-17)31-13-21(22,23)24)29-3-5-30(6-4-29)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13H2,1-2H3/t14-,15+,16-,20-
InChIKey CCHGBYLCGJTQQN-BMWJPVITSA-N
Mol Weight 440.52 g/mol
Molecular Formula C21H31F3N6O
Exact Mass 440.251144 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9H8VycegoNn
Name 4-[4-(1-adamantyl)-1-piperazinyl]-N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H31F3N6O
InChI InChI=1S/C21H31F3N6O/c1-28(2)17-25-18(27-19(26-17)31-13-21(22,23)24)29-3-5-30(6-4-29)20-10-14-7-15(11-20)9-16(8-14)12-20/h14-16H,3-13H2,1-2H3/t14-,15+,16-,20-
InChIKey CCHGBYLCGJTQQN-BMWJPVITSA-N
Molecular Weight 440.515 g/mol
SMILES c1(nc(N(C)C)nc(n1)OCC(F)(F)F)N1CCN(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])CC1
SPLASH splash10-0imu-3970000000-bb08604f9c2854247d83
Synonyms 4-[4-(1-adamantyl)piperazin-1-yl]-N,N-dimethyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine 4-[4-(1-adamantyl)piperazin-1-yl]-N,N-dimethyl-6-[2,2,2-tris(fluoranyl)ethoxy]-1,3,5-triazin-2-amine [4-[4-(1-adamantyl)piperazino]-6-(2,2,2-trifluoroethoxy)-s-triazin-2-yl]-dimethyl-amine
Wiley ID 1461793