Dataset

atmospheric pressure chemical ionisation mass spectrometry (APCI MS)

Chemical Info

InChI	InChI=1S/C24H22N2O4S/c1-13-21(25-23(28)19-9-6-10-31-19)20-17(11-14(29-2)12-18(20)30-3)24(13)16-8-5-4-7-15(16)22(27)26-24/h4-13,21H,1-3H3,(H,25,28)(H,26,27)/t13-,21-,24+/m1/s1
SMILES	COc1cc(OC)c2c(c1)[C@]1(NC(=O)c3c1cccc3)[C@@H]([C@H]2NC(=O)c1cccs1)C
InChI Key	GDLZIOCMGMIXMQ-KCSLVJNWSA-N
Molecular Formula	C24H22N2O4S
Exact Mass	434.507 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/GDLZIOCMGMIXMQ-KCSLVJNWSA-N/CHMO0000473
License URL
Source	https://www.chemotion-repository.net/inchikey/GDLZIOCMGMIXMQ-KCSLVJNWSA-N/CHMO0000473
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T02:07:52.947749
MetadataModified	2024-09-08T02:07:52.947754
MetadataPublished	2023-12-15

Field	Value
Measurement Technique	atmospheric pressure chemical ionisation mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
169452723	PubChem
The data in this table is sourced from UniChem at EBI.