Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C26H23FN2O4/c1-14-23(28-24(30)15-8-10-16(27)11-9-15)22-20(12-17(32-2)13-21(22)33-3)26(14)19-7-5-4-6-18(19)25(31)29-26/h4-14,23H,1-3H3,(H,28,30)(H,29,31)/t14-,23-,26+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1ccc(cc1)F)C
InChI Key	AWMSQAWTIORNKD-CHBPNCHNSA-N
Molecular Formula	C26H23FN2O4
Exact Mass	446.470 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AWMSQAWTIORNKD-CHBPNCHNSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/AWMSQAWTIORNKD-CHBPNCHNSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:10:15.772842
MetadataModified	2024-09-08T02:10:15.772847
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169452732	PubChem
The data in this table is sourced from UniChem at EBI.