Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H25N3OS/c29-24(27-28-25(30)26-17-21-4-2-1-3-5-21)23-16-20-11-10-18-6-8-19(9-7-18)12-14-22(23)15-13-20/h1-9,13,15-16H,10-12,14,17H2,(H,27,29)(H2,26,28,30)
SMILES	S=C(NCc1ccccc1)NNC(=O)c1cc2ccc1CCc1ccc(CC2)cc1
InChI Key	AHEWUPIXIDFYRQ-UHFFFAOYSA-N
Molecular Formula	C25H25N3OS
Exact Mass	415.551 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/AHEWUPIXIDFYRQ-UHFFFAOYSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/AHEWUPIXIDFYRQ-UHFFFAOYSA-N/CHMO0000470
Version
Author	Lamiaa Abdelhaleem
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T04:38:38.111467
MetadataModified	2024-09-08T04:38:38.111472
MetadataPublished	2024-09-01

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
165111941	PubChem
The data in this table is sourced from UniChem at EBI.