SpectraBase Compound ID | DdUKO2dQXEK |
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InChI | InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)16(19-9-18-13)17-8-11-5-6-14-15(7-11)21-10-20-14/h1-7,9H,8,10H2,(H,17,18,19) |
InChIKey | MLVNLAHRZDXSAM-UHFFFAOYSA-N |
Mol Weight | 279.3 g/mol |
Molecular Formula | C16H13N3O2 |
Exact Mass | 279.100777 g/mol |
SpectraBase Spectrum ID | LeIvjbh9QZl |
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Name | N-(1,3-Benzodioxol-5-ylmethyl)-4-quinazolinamine |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 279.100776669 u |
Formula | C16H13N3O2 |
InChI | InChI=1S/C16H13N3O2/c1-2-4-13-12(3-1)16(19-9-18-13)17-8-11-5-6-14-15(7-11)21-10-20-14/h1-7,9H,8,10H2,(H,17,18,19) |
InChIKey | MLVNLAHRZDXSAM-UHFFFAOYSA-N |
SMILES | C1=NC=2C(C(=N1)NCC=1C=C3C(OCO3)=CC1)=CC=CC2 |