Spectrum CCMSLIB00005434458 for Sildenafil - Dark Web Drugs

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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
139755-83-2
InChI=1S/C22H30N6O4S/c1-5-7-17-19-20(27(4)25-17)22(29)24-21(23-19)16-14-15(8-9-18(16)32-6-2)33(30,31)28-12-10-26(3)11-13-28/h8-9,14H,5-7,10-13H2,1-4H3,(H,23,24,29)
C22H30N6O4S
474.20492444
O=C1NC(=NC=2C(=NN(C12)C)CCC)C=3C=C(C=CC3OCC)S(=O)(=O)N4CCN(C)CC4
BNRNXUUZRGQAQC-UHFFFAOYSA-N

Mass Spectral Metadata

NameValue
ESI
Other
Orbitrap
0.0
1
DWDA_p_1_6_1.mzXML
MS2
GNPS-LIBRARY
Dorrestein, mpanitchpakdi, A. Jarmusch
positive
1.5682516974684697
0.5151059745978249
949.416
[2M+Na]+
23154.885613893166 ppm
-21.983618879999995 Da