Spectrum CCMSLIB00000078272 for Nevirapine (Viramune)

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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
129618-40-2
C15H14N4O
266.116761068
O=C1NC=2C(=NC=CC2C)N(C3=NC=CC=C13)C4CC4
InChI=1S/C15H14N4O/c1-9-6-8-17-14-12(9)18-15(20)11-3-2-7-16-13(11)19(14)10-4-5-10/h2-3,6-8,10H,4-5H2,1H3,(H,18,20)
NQDJXKOVJZTUJA-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
266.117
1
Plate4_41_60_GH4_01_16505.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
5.400101230826174
0.6880044371743868
267.124
[M+H]+
2.736811368477669 ppm
-7.31067999993229E-4 Da