Spectrum MoNA001537 for MMV026490

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/C23H24N4O/c28-23(25-12-10-17-5-2-1-3-6-17)21-13-20(19-7-4-11-24-15-19)16-27-22(21)26-14-18-8-9-18/h1-7,11,13,15-16,18H,8-10,12,14H2,(H,25,28)(H,26,27)
BRZAJTXRBIYUBT-UHFFFAOYSA-N
C23H24N4O
372.195011388
OC(=NCCC=1C=CC=CC1)C=2C=C(C=NC2NCC3CC3)C4=CN=CC=C4

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C23H24N4O
372.195
372.47
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.725595094461744
0.5970149306045549
373.202066457702
[M+H]+
2.4515681455869935 ppm
-9.149302979949425E-4 Da