Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C29H26N4/c1-2-4-24(5-3-1)19-31-29-28(32-27-20-30-16-17-33(27)29)26-18-23-11-10-21-6-8-22(9-7-21)12-14-25(26)15-13-23/h1-9,13,15-18,20,31H,10-12,14,19H2
SMILES	c1ccc(cc1)CNc1c(nc2n1ccnc2)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	AXKWWZKTOILSMH-UHFFFAOYSA-N
Molecular Formula	C29H26N4
Exact Mass	430.544 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AXKWWZKTOILSMH-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/AXKWWZKTOILSMH-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:01:00.892057
MetadataModified	2024-09-07T22:34:14.054277
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889657	PubChem
The data in this table is sourced from UniChem at EBI.