Dataset

11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one

This MassBank record with Accession MSBNK-Washington_State_Univ-BML00870 contains the MS2 mass spectrum of 11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2,3,4-trihydro-5H,10H,11H-benzo[ b]benzo[2,1-f]1,4-diazepin-1-one with the InChIkey AHTIKTYAZWVOGR-UHFFFAOYSA-N.

Chemical Info

InChI	InChI=1S/C23H25BrN2O3/c1-23(2)11-15-19(16(27)12-23)22(26-14-8-6-5-7-13(14)25-15)20-17(28-3)9-10-18(29-4)21(20)24/h5-10,22,25-26H,11-12H2,1-4H3
SMILES	CC1(CC2=C(C(NC3=CC=CC=C3N2)C4=C(C=CC(=C4Br)OC)OC)C(=O)C1)C
InChI Key	AHTIKTYAZWVOGR-UHFFFAOYSA-N
Molecular Formula	C23H25BrN2O3
Exact Mass	456.105 g/mol

Data and Resources

11-(2-bromo-3,6-dimethoxyphenyl)-3,3-dimethyl-2...HTML
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Metadata Information

Field	Value
DOI
License URL	https://creativecommons.org/licenses/by-sa/4.0
Source	https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Washington_State_Univ-BML00870
Version
Author
Maintainer
Language
MetadataCreated	2024-01-11T22:29:01.888618
MetadataModified	2024-01-11T22:29:02.086151
MetadataPublished	2016-01-19

Field	Value
Measurement Technique	liquid chromatography-mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
8247033	eMolecules
4570635	PubChem
The data in this table is sourced from UniChem at EBI.