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N-[1-[1-(1-adamantyl)propyl]-2,5-bis(oxidanylidene)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
SpectraBase Compound ID JI2VCLewWLA
InChI InChI=1S/C23H27F3N4O3/c1-2-17(21-9-13-6-14(10-21)8-15(7-13)11-21)30-19(32)22(23(24,25)26,29-20(30)33)28-18(31)16-4-3-5-27-12-16/h3-5,12-15,17H,2,6-11H2,1H3,(H,28,31)(H,29,33)/t13-,14+,15-,17?,21-,22?
InChIKey LYHBNLSALYJHJX-XYBQPMOFSA-N
Mol Weight 464.49 g/mol
Molecular Formula C23H27F3N4O3
Exact Mass 464.203525 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DvwlUyasJR1
Name N-[1-[1-(1-adamantyl)propyl]-2,5-bis(oxidanylidene)-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
Alternate Name(s) N-[1-[1-(1-adamantyl)propyl]-2,5-diketo-4-(trifluoromethyl)imidazolidin-4-yl]nicotinamide N-[1-[1-(1-adamantyl)propyl]-2,5-dioxo-4-(trifluoromethyl)-4-imidazolidinyl]-3-pyridinecarboxamide N-[1-[1-(1-adamantyl)propyl]-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-3-carboxamide
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Formula C23H27F3N4O3
InChI InChI=1S/C23H27F3N4O3/c1-2-17(21-9-13-6-14(10-21)8-15(7-13)11-21)30-19(32)22(23(24,25)26,29-20(30)33)28-18(31)16-4-3-5-27-12-16/h3-5,12-15,17H,2,6-11H2,1H3,(H,28,31)(H,29,33)/t13-,14+,15-,17?,21-,22?
InChIKey LYHBNLSALYJHJX-XYBQPMOFSA-N
Molecular Weight 464.489 g/mol
SMILES N1C(N(C(C1(NC(c1cnccc1)=O)C(F)(F)F)=O)C(C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])CC)=O
SPLASH splash10-000i-5900000000-e1439da16c479c40857f
Wiley ID 1444523