Spectrum FiehnHILIC000726 for Raclopride

Rating: (*)★(*)★(*)★(*)★(*)★
  • Originally submitted to the Fiehn Lab HILIC Library

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
WAOQONBSWFLFPE-VIFPVBQESA-N
C15H20Cl2N2O3
346.08509786
ClC=1C=C(Cl)C(OC)=C(C(O)=NCC2N(CC)CCC2)C1O
InChI=1S/C15H20Cl2N2O3/c1-3-19-6-4-5-9(19)8-18-15(21)12-13(20)10(16)7-11(17)14(12)22-2/h7,9,20H,3-6,8H2,1-2H3,(H,18,21)/t9-/m0/s1

Mass Spectral Metadata

NameValue
M + 0
294
2.108867
positive
HCD (NCE 20-30-40%)
LC-ESI-QFT
Thermo Q Exactive HF
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.374003643877236
0.5529397428247291
347.0921
[M+H]+
2.788481789135878 ppm
-9.678600000029292E-4 Da