Dataset

mass spectrometry (MS)

Chemical Info

InChI	InChI=1S/C27H33N5O4/c1-3-5-13-31-18-25(34)32-14-8-11-23(32)27(36)30(12-4-2)17-24(33)29-22(26(31)35)15-19-16-28-21-10-7-6-9-20(19)21/h2,6-7,9-10,16,22-23,28H,3,5,8,11-15,17-18H2,1H3,(H,29,33)/t22-,23+/m0/s1
SMILES	CCCCN1CC(=O)N2CCC[C@@H]2C(=O)N(CC(=O)N[C@H](C1=O)Cc1c[nH]c2c1cccc2)CC#C
InChI Key	CWQKXDIPPKASTL-XZOQPEGZSA-N
Molecular Formula	C27H33N5O4
Exact Mass	491.582 g/mol

Data and Resources

• mass spectrometry (MS)HTML
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• mass-spectrometry

Metadata Information

• Additional
• Measurement

Field	Value
DOI	10.14272/CWQKXDIPPKASTL-XZOQPEGZSA-N/CHMO0000470
License URL
Source	https://www.chemotion-repository.net/inchikey/CWQKXDIPPKASTL-XZOQPEGZSA-N/CHMO0000470
Version
Author	Claudine Herlan
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-07T05:03:20.320082
MetadataModified	2024-09-07T20:25:37.617072
MetadataPublished	2021-09-23

Field	Value
Measurement Technique	mass spectrometry
Measurement Variables