Spectrum MoNA001656 for MMV688754

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Compound Information

Chemical Names

Compound Classification (provided by ClassyFire)

ClassyFire is a freely accessible computational tool that uses the ChemOnt taxonomy to classify chemical entities based on their structure. ClassyFire combines structure search, IUPAC name parsing, and evaluation of logical expressions to retrieve structural features, which are then mapped to the corresponding ChemOnt classes.

Compound Metadata

NameValue
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13-,25-18+
ONCZDRURRATYFI-KEEMFBDKSA-N
C20H19F3N2O4
408.129691748
O=C(OC)C(=NOC)C=1C=CC=CC1CON=C(C2=CC=CC(=C2)C(F)(F)F)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C20H19N2O4F3
408.13
408.37
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.367674697455391
0.6149568646157302
409.136688232422
[M+H]+
2.3794384762825462 ppm
-9.735155780390414E-4 Da