Dataset
Sitagliptin
Chemical Info
InChI | InChI=1S/C16H15F6N5O/c17-10-6-12(19)11(18)4-8(10)3-9(23)5-14(28)26-1-2-27-13(7-26)24-25-15(27)16(20,21)22/h4,6,9H,1-3,5,7,23H2/t9-/m1/s1 |
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SMILES | Fc1cc(c(F)cc1F)C[C@@H](N)CC(=O)N3Cc2nnc(n2CC3)C(F)(F)F |
InChI Key | MFFMDFFZMYYVKS-SECBINFHSA-N |
Molecular Formula | C16H15F6N5O |
Exact Mass | 407.118 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Eawag-EA290310 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T14:39:08.551575 |
MetadataModified | 2024-01-11T14:39:08.718256 |
MetadataPublished | 2014-01-14 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |