Spectrum CCMSLIB00000078203 for Silodosin (Rapaflo)

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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
160970-54-7
C25H32F3N3O4
495.234491164
O=C(N)C1=CC(=CC2=C1N(CC2)CCCO)CC(NCCOC=3C=CC=CC3OCC(F)(F)F)C
InChI=1S/C25H32F3N3O4/c1-17(30-8-12-34-21-5-2-3-6-22(21)35-16-25(26,27)28)13-18-14-19-7-10-31(9-4-11-32)23(19)20(15-18)24(29)33/h2-3,5-6,14-15,17,30,32H,4,7-13,16H2,1H3,(H2,29,33)/t17-/m1/s1
PNCPYILNMDWPEY-QGZVFWFLSA-N

Mass Spectral Metadata

NameValue
LC-ESI
Commercial
qTof
495.234
1
Plate3_41_60_GG11_01_16500.mzXML
MS2
GNPS-SELLECKCHEM-FDA-PART2
negarg, Garg_Neha, Dorrestein
positive
4.5149725525692785
0.688001678659329
496.242
[M+H]+
0.9293127143626205 ppm
-4.6116400000073554E-4 Da