Spectrum MoNA036648 for ETOMIDATE

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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
NPUKDXXFDDZOKR-LLVKDONJSA-N
C14H16N2O2
244.121177752
O=C(OCC)C1=CN=CN1C(C=2C=CC=CC2)C
InChI=1S/C14H16N2O2/c1-3-18-14(17)13-9-15-10-16(13)11(2)12-7-5-4-6-8-12/h4-11H,3H2,1-2H3/t11-/m1/s1

Mass Spectral Metadata

NameValue
MS2
LC-ESI-QTOF
Agilent qTOF 6545
C14H16N2O2
positive
20 eV
Sonnenburg Lab MS2 Library HILIC positive method
Sonnenburg_Lab_qTOF_MS2_Spectra.msp
1.1150249618479584
0.5074697294710522
245.1284538
[M+H]+
2.8309728603444277 ppm
-6.939520000059929E-4 Da