Dataset

high resolution fast-atom bombardment mass spectrometry (HRFABMS)

Chemical Info

InChI	InChI=1S/C30H27N3O/c1-34-26-17-15-25(16-18-26)29-30(33-19-3-2-4-28(33)32-29)31-27-20-23-10-9-21-5-7-22(8-6-21)11-13-24(27)14-12-23/h2-8,12,14-20,31H,9-11,13H2,1H3
SMILES	COc1ccc(cc1)c1nc2n(c1Nc1cc3CCc4ccc(CCc1cc3)cc4)cccc2
InChI Key	UCYNBEZQQPMTAD-UHFFFAOYSA-N
Molecular Formula	C30H27N3O
Exact Mass	445.555 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/UCYNBEZQQPMTAD-UHFFFAOYSA-N/CHMO0000726
License URL
Source	https://www.chemotion-repository.net/inchikey/UCYNBEZQQPMTAD-UHFFFAOYSA-N/CHMO0000726
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T06:57:37.869256
MetadataModified	2024-09-07T22:29:42.271468
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889654	PubChem
The data in this table is sourced from UniChem at EBI.