Sitagliptin
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-Athens_Univ-AU225701
Dataset description:
This MassBank record with Accession MSBNK-Athens_Univ-AU225701 contains the MS2 mass spectrum of Sitagliptin with the InChIkey MFFMDFFZMYYVKS-SECBINFHSA-N.
Source: 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 |
|---|---|
| SMILES | c1c(c(cc(c1F)F)F)C[C@H](CC(=O)N2CCn3c(nnc3C(F)(F)F)C2)N |
| InChI Key | MFFMDFFZMYYVKS-SECBINFHSA-N |
| Molecular Formula | C16H15F6N5O |
| Exact Mass | 407.118 g/mol |
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Additional Information
| Field | Value |
|---|---|
| Data last updated | January 11, 2024 |
| Metadata last updated | January 11, 2024 |
| Created | January 11, 2024 |
| Format | HTML |
| License | Attribution 4.0 International (CC BY 4.0) |
| Id | 2243cdf7-ac6d-4b33-a59a-f0975b7d5236 |
| Package id | msbnk-athens_univ-au225701 |
| Resource type | HTML |
| State | active |