Nadide
URL: https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BAFG-CSL23111016011
Dataset description:
This MassBank record with Accession MSBNK-BAFG-CSL23111016011 contains the MS2 mass spectrum of Nadide with the InChIkey BAWFJGJZGIEFAR-HIBWLZFTSA-N.
Source: Nadide
Chemical Info
| InChI | InChI=1S/C21H27N7O14P2/c22-17-12-19(25-7-24-17)28(8-26-12)21-16(32)14(30)11(41-21)6-39-44(36,37)42-43(34,35)38-5-10-13(29)15(31)20(40-10)27-3-1-2-9(4-27)18(23)33/h1-4,7-8,10-11,13-16,20-21,29-32H,5-6H2,(H5-,22,23,24,25,33,34,35,36,37)/t10-,11?,13-,14?,15-,16?,20-,21?/m1/s1 |
|---|---|
| SMILES | [O-]P(OC[C@H]1O[C@@H]([N+]2=CC=CC(C(N)=O)=C2)[C@H](O)[C@@H]1O)(OP(O)(OCC3C(O)C(O)C(N4C=NC5=C4N=CN=C5N)O3)=O)=O |
| InChI Key | BAWFJGJZGIEFAR-HIBWLZFTSA-N |
| Molecular Formula | C21H27N7O14P2 |
| Exact Mass | 663.109 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 | No License Provided |
| Id | f1e6e5c5-8f3b-4f4c-92a0-9b25af2d90fa |
| Package id | msbnk-bafg-csl23111016011 |
| Resource type | HTML |
| State | active |