Dataset

high-resolution mass spectrometry (HRMS)

Chemical Info

InChI	InChI=1S/C22H18N2O2S/c1-13-18(23-20(25)14-7-3-2-4-8-14)19-17(11-12-27-19)22(13)16-10-6-5-9-15(16)21(26)24-22/h2-13,18H,1H3,(H,23,25)(H,24,26)/t13-,18?,22+/m1/s1
SMILES	O=C(c1ccccc1)NC1c2sccc2[C@@]2([C@@H]1C)NC(=O)c1c2cccc1
InChI Key	XUTLZPZAGNQSPL-ODHQKICUSA-N
Molecular Formula	C22H18N2O2S
Exact Mass	374.456 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498
License URL
Source	https://www.chemotion-repository.net/inchikey/XUTLZPZAGNQSPL-ODHQKICUSA-N/CHMO0000498
Version
Author	Georg Manolikakes
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2025-01-29T10:31:01.856901
MetadataModified	2025-01-29T16:23:40.295374
MetadataPublished	2024-11-13
Related Molecule

Field	Value
Measurement Technique	high-resolution mass spectrometry
Measurement Variables

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