Spectrum FiehnHILIC000287 for Cyproheptadine

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
JJCFRYNCJDLXIK-UHFFFAOYSA-N
C21H21N
287.16739967200004
C=1C=CC2=C(C1)C=CC=3C=CC=CC3C2=C4CCN(C)CC4
InChI=1S/C21H21N/c1-22-14-12-18(13-15-22)21-19-8-4-2-6-16(19)10-11-17-7-3-5-9-20(17)21/h2-11H,12-15H2,1H3

Mass Spectral Metadata

NameValue
M + 0
2.309133
positive
HCD (NCE 20-30-40%)
339
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)
1.2902305714124869
0.3757237562584132
288.1741
[M+H]+
4.405919893685504 ppm
-0.001269672000034916 Da