| SpectraBase Spectrum ID |
8HQI4WJUIEK |
| Name |
Bunazosin AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
415.221954430 u |
| Formula |
C21H29N5O4 |
| InChI |
InChI=1S/C21H29N5O4/c1-5-7-19(28)25-8-6-9-26(11-10-25)21-23-16-13-18(30-4)17(29-3)12-15(16)20(24-21)22-14(2)27/h12-13H,5-11H2,1-4H3,(H,22,23,24,27) |
| InChIKey |
IWTKICOCSQMUPU-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
415.494 g/mol |
| Nominal Mass |
415 u |
| Quality |
935 |
| Retention Index |
3432 |
| SMILES |
C=1(C=2C(N=C(N1)N1CCN(C(CCC)=O)CCC1)=CC(=C(C2)OC)OC)NC(=O)C |
| SPLASH |
splash10-007k-0193000000-2c6f27ce18776d246445 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Bunazocine AC
1-[4-(4-Methylamino-6,7-dimethoxyquinazolin-2-yl)-1,4-diazepan-1-yl]butan-1-one |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009237 |
