| SpectraBase Compound ID | Cu7CPsJe9zG |
|---|---|
| InChI | InChI=1S/C25H30N6O/c1-4-20(15-32)27-25-29-23(22-24(30-25)31(16-26-22)17(2)3)28-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,32H,4,15H2,1-3H3,(H2,27,28,29,30)/t20-/m1/s1 |
| InChIKey | TVKNGTKVRLWUPH-HXUWFJFHSA-N |
| Mol Weight | 430.56 g/mol |
| Molecular Formula | C25H30N6O |
| Exact Mass | 430.24811 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 4aLd3TVazo |
|---|---|
| Name | (R)-2-(6-(Benzhydrylamino)-9-isopropyl-9H-purin-2-ylamino)butan-1-ol |
| Appearance | Off-white solid |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C25H30N6O |
| InChI | InChI=1S/C25H30N6O/c1-4-20(15-32)27-25-29-23(22-24(30-25)31(16-26-22)17(2)3)28-21(18-11-7-5-8-12-18)19-13-9-6-10-14-19/h5-14,16-17,20-21,32H,4,15H2,1-3H3,(H2,27,28,29,30)/t20-/m1/s1 |
| InChIKey | TVKNGTKVRLWUPH-HXUWFJFHSA-N |
| Instrument Name | Waters Autospec |
| Ionization Type | EI |
| Literature Reference DOI | 10.1021/ml3002083 |
| Molecular Weight | 430.556 g/mol |
| Reported Formula | C25H30N6O |
| SMILES | N(C(c1ccccc1)c1ccccc1)c1c2c(nc(n1)N[C@@](CO)(CC)[H])[n](cn2)C(C)C |
| SPLASH | splash10-0gc1-0905700000-0f17efa11c41c9f78be4 |
| Source of Spectrum | MCS-3-SM34-13t |
| Wiley ID | 1864053 |