Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C18H21BrN4O2/c1-18(2,3)22-17-16(21-15-10-20-6-7-23(15)17)11-8-13(24-4)14(25-5)9-12(11)19/h6-10,22H,1-5H3
SMILES	COc1cc(c(cc1OC)Br)c1nc2n(c1NC(C)(C)C)ccnc2
InChI Key	BXFGUOURKQXMMO-UHFFFAOYSA-N
Molecular Formula	C18H21BrN4O2
Exact Mass	405.289 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0000563.1
License URL
Source	https://www.chemotion-repository.net/inchikey/BXFGUOURKQXMMO-UHFFFAOYSA-N/CHMO0000563.1
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:16:19.613305
MetadataModified	2024-09-08T00:13:37.165573
MetadataPublished	2023-01-23

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

Data-Source Molecule ID	Data-Source
166451856	PubChem
The data in this table is sourced from UniChem at EBI.