SpectraBase Spectrum ID |
QLghKIDmcY |
Name |
N'-[(Z)-(2,4,6-trioxo-1-phenyltetrahydro-5(2H)-pyrimidinylidene)methyl]-1-adamantanecarbohydrazide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
408.179755265 u |
Formula |
C22H24N4O4 |
InChI |
InChI=1S/C22H24N4O4/c27-18-17(19(28)26(21(30)24-18)16-4-2-1-3-5-16)12-23-25-20(29)22-9-13-6-14(10-22)8-15(7-13)11-22/h1-5,12-15,23H,6-11H2,(H,25,29)(H,24,27,30)/b17-12-/t13-,14+,15-,22- |
InChIKey |
PTCAULWXGJQBFM-ZZMBVTGFSA-N |
Molecular Weight |
408.458 g/mol |
SMILES |
N1C(\C(=C\NNC(C23C[C@]4(C[C@@](C3)(C[C@@](C2)(C4)[H])[H])[H])=O)C(N(C1=O)C1=CC=CC=C1)=O)=O |