| SpectraBase Compound ID | GGtI9O8kGde |
|---|---|
| InChI | InChI=1S/C21H18N4/c1-25(15-16-8-3-2-4-9-16)21-18-11-5-6-12-19(18)23-20(24-21)17-10-7-13-22-14-17/h2-14H,15H2,1H3 |
| InChIKey | PAQBPQCMNHPOIO-UHFFFAOYSA-N |
| Mol Weight | 326.4 g/mol |
| Molecular Formula | C21H18N4 |
| Exact Mass | 326.153147 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 9ZypfAbmgVX |
|---|---|
| Name | N-Benzyl-2-(3-pyridinyl)-4-quinazolinamine, N-methyl |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 326.153146596 u |
| Formula | C21H18N4 |
| InChI | InChI=1S/C21H18N4/c1-25(15-16-8-3-2-4-9-16)21-18-11-5-6-12-19(18)23-20(24-21)17-10-7-13-22-14-17/h2-14H,15H2,1H3 |
| InChIKey | PAQBPQCMNHPOIO-UHFFFAOYSA-N |
| Molecular Weight | 326.403 g/mol |
| SMILES | C1(=NC=2C(C(=N1)N(CC1=CC=CC=C1)C)=CC=CC2)C1=CN=CC=C1 |