Spectrum FiehnHILIC000361 for Fluperlapine

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
OBWGMKKHCLHVIE-UHFFFAOYSA-N
C19H20FN3
309.16412586
FC1=CC=C2C(N=C(C=3C=CC=CC3C2)N4CCN(C)CC4)=C1
InChI=1S/C19H20FN3/c1-22-8-10-23(11-9-22)19-17-5-3-2-4-14(17)12-15-6-7-16(20)13-18(15)21-19/h2-7,13H,8-12H2,1H3

Mass Spectral Metadata

NameValue
-0.0011958599999957187 Da
M + 0
2.299833
330
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)
1.1856142742531774
0.4276199584680566
310.1709
[M+H]+
3.8554874103138586 ppm