| SpectraBase Compound ID | JRkVwA9Ww4r |
|---|---|
| InChI | InChI=1S/C37H38BrFN4O3/c38-28-16-19-33(42-22-20-41(21-23-42)31-11-5-2-6-12-31)34(25-28)43(37(46)26-14-17-29(39)18-15-26)35(27-8-7-13-32(44)24-27)36(45)40-30-9-3-1-4-10-30/h2,5-8,11-19,24-25,30,35,44H,1,3-4,9-10,20-23H2,(H,40,45) |
| InChIKey | KXOBGMPDRZUKKT-UHFFFAOYSA-N |
| Mol Weight | 685.6 g/mol |
| Molecular Formula | C37H38BrFN4O3 |
| Exact Mass | 684.211132 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | 3AtwO5p5ElQ |
|---|---|
| Name | N-(5-Bromo-2-(4-phenylpiperazin-1-yl)phenyl)-N-(2-(cyclohexylamino)-1-(3-hydroxyphenyl)-2-oxoethyl)-4-fluorobenzamide |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C37H38BrFN4O3 |
| InChI | InChI=1S/C37H38BrFN4O3/c38-28-16-19-33(42-22-20-41(21-23-42)31-11-5-2-6-12-31)34(25-28)43(37(46)26-14-17-29(39)18-15-26)35(27-8-7-13-32(44)24-27)36(45)40-30-9-3-1-4-10-30/h2,5-8,11-19,24-25,30,35,44H,1,3-4,9-10,20-23H2,(H,40,45) |
| InChIKey | KXOBGMPDRZUKKT-UHFFFAOYSA-N |
| Literature Reference DOI | 10.1002/ardp.201400322 |
| Molecular Weight | 685.638 g/mol |
| SMILES | N(C1CCCCC1)C(C(c1cc(ccc1)O)N(c1c(ccc(Br)c1)N1CCN(CC1)c1ccccc1)C(c1ccc(cc1)F)=O)=O |
| SPLASH | splash10-0umi-3935744000-23d8ddb1ff54678055ca |
| Source of Spectrum | APC-348-336-12 |
| Wiley ID | 1773317 |