Spectrum MoNA001299 for MMV688548

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/C15H17N5/c1-15(2,3)20-14-11(13(16)17-9-18-14)12(19-20)10-7-5-4-6-8-10/h4-9H,1-3H3,(H2,16,17,18)
MVIHEGXCXLFEMC-UHFFFAOYSA-N
C15H17N5
267.148395544
N=1C=NC2=C(C1N)C(=NN2C(C)(C)C)C=3C=CC=CC3

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C15H17N5
267.148
267.33
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
0.6725900529988722
0.28049183825028023
268.15553173751
[M+H]+
3.10941372191898 ppm
-8.338064899930941E-4 Da