Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C25H26N2/c1-27(2)25-18-23-11-7-19-3-5-20(6-4-19)9-12-24(25)17-22(23)10-8-21-13-15-26-16-14-21/h3-6,8,10,13-18H,7,9,11-12H2,1-2H3/b10-8+
SMILES	CN(c1cc2CCc3ccc(CCc1cc2/C=C/c1ccncc1)cc3)C
InChI Key	WHSCGUSTPPOIDC-CSKARUKUSA-N
Molecular Formula	C25H26N2
Exact Mass	354.487 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/WHSCGUSTPPOIDC-CSKARUKUSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/WHSCGUSTPPOIDC-CSKARUKUSA-N/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:02:08.340424
MetadataModified	2024-09-07T23:55:06.217444
MetadataPublished	2022-12-04

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166001331	PubChem
The data in this table is sourced from UniChem at EBI.