Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C19H22BrN3O2/c1-19(2,3)22-18-17(21-16-8-6-7-9-23(16)18)12-10-14(24-4)15(25-5)11-13(12)20/h6-11,22H,1-5H3
SMILES	COc1cc(Br)c(cc1OC)c1nc2n(c1NC(C)(C)C)cccc2
InChI Key	GAUNOMJAIRSHHA-UHFFFAOYSA-N
Molecular Formula	C19H22BrN3O2
Exact Mass	404.301 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GAUNOMJAIRSHHA-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/GAUNOMJAIRSHHA-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:18:54.093906
MetadataModified	2024-09-08T00:16:56.489880
MetadataPublished	2023-01-23

Field	Value
Measurement Technique	fast-atom bombardment mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166451846	PubChem
The data in this table is sourced from UniChem at EBI.