SpectraBase Spectrum ID |
2m6vv6D0ykS |
Name |
Primaquine 2TFA |
Classification |
Pharmaceutical drug derivative |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
451.133060459 u |
Formula |
C19H19F6N3O3 |
InChI |
InChI=1S/C19H19F6N3O3/c1-11(5-3-8-27-16(29)18(20,21)22)28(17(30)19(23,24)25)14-10-13(31-2)9-12-6-4-7-26-15(12)14/h4,6-7,9-11H,3,5,8H2,1-2H3,(H,27,29) |
InChIKey |
ABYLDJDBLOQOPG-UHFFFAOYSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
451.369 g/mol |
Nominal Mass |
451 u |
Quality |
977 |
Retention Index |
2763 |
SMILES |
C=1(N(C(C(F)(F)F)=O)C(CCCNC(C(F)(F)F)=O)C)C2=C(C=C(C1)OC)C=CC=N2 |
SPLASH |
splash10-0002-3983100000-1054cbb68158cafd3b40 |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
trifluoro-N-(6-methoxyquinolin-8-yl)-N-(5-((trifluoroacetyl)amino)pentan-2-yl)acetamide |
Technique |
GC/MS |
Wiley ID |
DD2024_010031 |