Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C26H29N2.HI/c1-27(2)26-19-24-12-8-20-4-6-21(7-5-20)10-13-25(26)18-23(24)11-9-22-14-16-28(3)17-15-22;/h4-7,9,11,14-19H,8,10,12-13H2,1-3H3;1H/q+1;/p-1
SMILES	C[n+]1ccc(cc1)/C=C/c1cc2CCc3ccc(CCc1cc2N(C)C)cc3.[I-]
InChI Key	FXLWEFFTBPOLEW-UHFFFAOYSA-M
Molecular Formula	C26H29IN2
Exact Mass	496.426 g/mol

Data and Resources

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Metadata Information

• Additional
• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/FXLWEFFTBPOLEW-UHFFFAOYSA-M/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/FXLWEFFTBPOLEW-UHFFFAOYSA-M/CHMO0000470
Version
Author	Yichuan Wang
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T08:01:45.782544
MetadataModified	2024-09-07T23:54:36.050473
MetadataPublished	2022-12-04

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables

Data-Source Molecule ID	Data-Source
166001329	PubChem
The data in this table is sourced from UniChem at EBI.