Spectrum MoNA001632 for MMV023227

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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/C18H19N3/c1-13-14(2)21-18(20-13)16-9-6-10-17(11-16)19-12-15-7-4-3-5-8-15/h3-11,19H,12H2,1-2H3,(H,20,21)
LDRYEHCQZJVCHB-UHFFFAOYSA-N
C18H19N3
277.157897608
N1=C(NC(=C1C)C)C=2C=CC=C(C2)NCC=3C=CC=CC3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C18H19N3
277.158
277.37
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.4964877804908153
0.16062146928826476
278.165205158766
[M+H]+
2.3814956784151837 ppm
-6.624492339710741E-4 Da