Spectrum MoNA001472 for MMV690103

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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/C19H23N7/c1-11(13-8-7-12-5-3-4-6-14(12)9-13)26(2)19-22-10-15-16(20)23-18(21)24-17(15)25-19/h7-11H,3-6H2,1-2H3,(H4,20,21,22,23,24,25)/t11-/m1/s1
KXSXIFFPCDJUPY-LLVKDONJSA-N
C19H23N7
349.201493736
N=C1N=C2NC(=NC=C2C(=N)N1)N(C)C(C3=CC=C4C(=C3)CCCC4)C

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QFT
Thermo Q Exactive HF
HCD (NCE 20-30-40%)
C19H23N7
349.201
349.43
pathogen_box_qe_rp_pos_proton_sept_2018_dinesh_barupal.msp
positive
1.1119915894348409
0.38472268710660046
350.208880226821
[M+H]+
1.6661747086150425 ppm
-5.835091789663238E-4 Da