| SpectraBase Compound ID | EpGpnUiCkKs |
|---|---|
| InChI | InChI=1S/C20H28N6O/c1-4-16(12-27)23-20-24-18(21-11-10-15-8-6-5-7-9-15)17-19(25-20)26(13-22-17)14(2)3/h5-9,13-14,16,27H,4,10-12H2,1-3H3,(H2,21,23,24,25)/t16-/m1/s1 |
| InChIKey | IZTUOVOTDRDXOG-MRXNPFEDSA-N |
| Mol Weight | 368.49 g/mol |
| Molecular Formula | C20H28N6O |
| Exact Mass | 368.23246 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 5VAa7i1Ph3m |
|---|---|
| Name | (R)-2-(9-Isopropyl-6-(phenethylamino)-9H-purin-2-ylamino)butan-1-ol |
| Appearance | Light yellow oil |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C20H28N6O |
| InChI | InChI=1S/C20H28N6O/c1-4-16(12-27)23-20-24-18(21-11-10-15-8-6-5-7-9-15)17-19(25-20)26(13-22-17)14(2)3/h5-9,13-14,16,27H,4,10-12H2,1-3H3,(H2,21,23,24,25)/t16-/m1/s1 |
| InChIKey | IZTUOVOTDRDXOG-MRXNPFEDSA-N |
| Instrument Name | Waters Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/ml3002083 |
| Molecular Weight | 368.485 g/mol |
| Reported Formula | C20H28N6O |
| SMILES | N(c1c2c(nc(n1)N[C@@](CO)(CC)[H])[n](cn2)C(C)C)CCc1ccccc1 |
| SPLASH | splash10-0aou-5968000000-45abfc751b77987e0030 |
| Source of Spectrum | MCS-3-SM29-13q |
| Wiley ID | 1864052 |