Spectrum MoNA001548 for MMV675995

Rating: (*)★(*)★(*)★(*)★(*)☆

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/C17H20N2O2/c1-13-5-4-6-15(18-13)11-12-19(14(2)20)16-7-9-17(21-3)10-8-16/h4-10H,11-12H2,1-3H3
LHZSDCCVKQCGKA-UHFFFAOYSA-N
C17H20N2O2
284.15247788
O=C(N(C1=CC=C(OC)C=C1)CCC2=NC(=CC=C2)C)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C17H20N2O2
284.152
284.35
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.736122558092922
0.29623750982988606
285.15977748253
[M+H]+
2.3509538263830088 ppm
-6.703974700030813E-4 Da