![1-p-[N-[2-Amino-3-cyanopyrazine-5-yl-methyl]-N-methylamino]benzoylaminoadamantane](/api/spectrum/52aAPlUPa2/structure.png?h=300&w=458 "1-p-[N-[2-Amino-3-cyanopyrazine-5-yl-methyl]-N-methylamino]benzoylaminoadamantane")
| SpectraBase Compound ID | JikUEwCZ8Ud |
|---|---|
| InChI | InChI=1S/C24H28N6O/c1-30(14-19-13-27-22(26)21(12-25)28-19)20-4-2-18(3-5-20)23(31)29-24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,13,15-17H,6-11,14H2,1H3,(H2,26,27)(H,29,31)/t15-,16+,17-,24- |
| InChIKey | YTILZABABCLDDS-ONHXBKDTSA-N |
| Mol Weight | 416.53 g/mol |
| Molecular Formula | C24H28N6O |
| Exact Mass | 416.23246 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 52aAPlUPa2 |
|---|---|
| Name | 1-p-[N-[2-Amino-3-cyanopyrazine-5-yl-methyl]-N-methylamino]benzoylaminoadamantane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 416.232459545 u |
| Formula | C24H28N6O |
| InChI | InChI=1S/C24H28N6O/c1-30(14-19-13-27-22(26)21(12-25)28-19)20-4-2-18(3-5-20)23(31)29-24-9-15-6-16(10-24)8-17(7-15)11-24/h2-5,13,15-17H,6-11,14H2,1H3,(H2,26,27)(H,29,31)/t15-,16+,17-,24- |
| InChIKey | YTILZABABCLDDS-ONHXBKDTSA-N |
| Molecular Weight | 416.529 g/mol |
| SMILES | [C@]12(CC3(C[C@](C2)(C[C@](C1)(C3)[H])[H])NC(=O)C1=CC=C(C=C1)N(C)CC1=CN=C(C(=N1)C#N)N)[H] |