Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C29H31N3/c1-2-6-25(7-3-1)30-29-28(31-27-8-4-5-19-32(27)29)26-20-23-14-13-21-9-11-22(12-10-21)15-17-24(26)18-16-23/h4-5,8-12,16,18-20,25,30H,1-3,6-7,13-15,17H2
SMILES	C1CCC(CC1)Nc1c(nc2n1cccc2)c1cc2CCc3ccc(CCc1cc2)cc3
InChI Key	DYPLZUUJBAHQNP-UHFFFAOYSA-N
Molecular Formula	C29H31N3
Exact Mass	421.577 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/DYPLZUUJBAHQNP-UHFFFAOYSA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/DYPLZUUJBAHQNP-UHFFFAOYSA-N/CHMO0000563
Version
Author	Mareen Stahlberger
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T07:02:19.349003
MetadataModified	2024-09-07T22:35:59.109017
MetadataPublished	2022-07-25

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

Data-Source Molecule ID	Data-Source
164889659	PubChem
The data in this table is sourced from UniChem at EBI.