Dataset
high-resolution electrospray ionisation time-of-flight mass spectrometry (HR-ESI-TOF-MS)
Chemical Info
InChI | InChI=1S/C13H21N5/c1-16(2)12-5-6-14-11(9-12)10-15-13-17(3)7-8-18(13)4/h5-6,9H,7-8,10H2,1-4H3 |
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SMILES | CN1CCN(C1=NCc1nccc(c1)N(C)C)C |
InChI Key | AFWRBIDJGSKXSH-UHFFFAOYSA-N |
Molecular Formula | C13H21N5 |
Exact Mass | 247.339 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | 10.14272/AFWRBIDJGSKXSH-UHFFFAOYSA-N/CHMO0002541 |
License URL | |
Source | https://www.chemotion-repository.net/inchikey/AFWRBIDJGSKXSH-UHFFFAOYSA-N/CHMO0002541 |
Version | |
Author | Alexander Hoffmann |
Maintainer | Chemotion Repository |
Language | english |
MetadataCreated | 2024-09-07T07:05:21.974243 |
MetadataModified | 2024-09-07T22:40:05.500307 |
MetadataPublished | 2022-08-03 |
Field | Value |
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Measurement Technique | high-resolution electrospray ionisation time-of-flight mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
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164889669 | PubChem |
The data in this table is sourced from UniChem at EBI. |