Dataset

fast-atom bombardment mass spectrometry (FABMS)

Chemical Info

InChI	InChI=1S/C22H32N6O/c1-16(2)28(17(3)4)26-24-21-19(15-27(25-21)20-12-8-9-13-20)14-23-22(29)18-10-6-5-7-11-18/h5-7,10-11,15-17,20H,8-9,12-14H2,1-4H3,(H,23,29)/b26-24+
SMILES	CC(N(C(C)C)/N=N/c1nn(cc1CNC(=O)c1ccccc1)C1CCCC1)C
InChI Key	SMDRKVWNQXOQTQ-SHHOIMCASA-N
Molecular Formula	C22H32N6O
Exact Mass	396.529 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/SMDRKVWNQXOQTQ-SHHOIMCASA-N/CHMO0000563
License URL
Source	https://www.chemotion-repository.net/inchikey/SMDRKVWNQXOQTQ-SHHOIMCASA-N/CHMO0000563
Version
Author	Nicolai Wippert
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T04:49:51.036328
MetadataModified	2024-09-07T20:08:04.063546
MetadataPublished	2021-07-11

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

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.