Spectrum MoNA001379 for MMV676600

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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/C26H30N6O3/c1-30-12-14-31(15-13-30)20-10-8-19(9-11-20)25(33)27-24-21-16-32(17-22(21)28-29-24)26(34)23(35-2)18-6-4-3-5-7-18/h3-11,23H,12-17H2,1-2H3,(H2,27,28,29,33)/t23-/m1/s1
XKFTZKGMDDZMJI-HSZRJFAPSA-N
C26H30N6O3
474.23793881999995
O=C(N1CC=2NN=C(N=C(O)C3=CC=C(C=C3)N4CCN(C)CC4)C2C1)C(OC)C=5C=CC=CC5

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C26H30N6O3
474.238
474.55
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
2.3603617650139763
0.6442806189729522
475.245224504766
[M+H]+
1.4399202741731674 ppm
-6.843152339683911E-4 Da