![N'-[2-[(E)-[(2E)-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]iminoethylidene]amino]benzoyl]pyridine-4-carbohydrazide dihydrate](/api/spectrum/GBoAh4wBp5s/structure.png?h=300&w=458 "N'-[2-[(E)-[(2E)-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]iminoethylidene]amino]benzoyl]pyridine-4-carbohydrazide dihydrate")
| SpectraBase Compound ID | DQKiLJg4jW1 |
|---|---|
| InChI | InChI=1S/C28H22N8O4.2O/c37-25(19-9-13-29-14-10-19)33-35-27(39)21-5-1-3-7-23(21)31-17-18-32-24-8-4-2-6-22(24)28(40)36-34-26(38)20-11-15-30-16-12-20;;/h1-18H,(H,33,37)(H,34,38)(H,35,39)(H,36,40);;/b31-17+,32-18+;; |
| InChIKey | SXFGPMMIVZWZBJ-ACIMROBGSA-N |
| Mol Weight | 566.534 g/mol |
| Molecular Formula | C28H22N8O6 |
| Exact Mass | 566.16623 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | GBoAh4wBp5s |
|---|---|
| Name | N'-[2-[(E)-[(2E)-2-[2-[(pyridine-4-carbonylamino)carbamoyl]phenyl]iminoethylidene]amino]benzoyl]pyridine-4-carbohydrazide dihydrate |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C28H26N8O6 |
| InChI | InChI=1S/C28H22N8O4.2O/c37-25(19-9-13-29-14-10-19)33-35-27(39)21-5-1-3-7-23(21)31-17-18-32-24-8-4-2-6-22(24)28(40)36-34-26(38)20-11-15-30-16-12-20;;/h1-18H,(H,33,37)(H,34,38)(H,35,39)(H,36,40);;/b31-17+,32-18+;; |
| InChIKey | SXFGPMMIVZWZBJ-ACIMROBGSA-N |
| Ionization Type | EI |
| Literature Reference DOI | 10.1002/aoc.6791 |
| Molecular Weight | 570.566 g/mol |
| SMILES | O.N(C(c1ccncc1)=O)NC(c1ccccc1\N=C\C=N\c1c(C(=O)NNC(c2ccncc2)=O)cccc1)=O.O |
| SPLASH | splash10-0a4i-9300000000-0a07708c238ccc0aaedd |
| Source of Spectrum | AOC-36-SM1-L |
| Wiley ID | 1875735 |