Spectrum MoNA001326 for MMV676445

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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/C17H19N3O/c1-2-11-20-15-9-5-3-7-13(15)19-17(20)12-18-14-8-4-6-10-16(14)21/h3-10,18,21H,2,11-12H2,1H3
ORCLWERNIDQHJQ-UHFFFAOYSA-N
C17H19N3O
281.15281222799996
OC=1C=CC=CC1NCC2=NC=3C=CC=CC3N2CCC

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C17H19N3O
281.153
281.35
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.0011710455543397
0.3400209862178117
282.159822332138
[M+H]+
3.4019579897443117 ppm
-9.598958619676523E-4 Da