Spectrum FiehnHILIC001456 for Pinacidil

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
IVVNZDGDKPTYHK-UHFFFAOYSA-N
C13H19N5
245.164045608
N#CN=C(N=C1C=CNC=C1)NC(C)C(C)(C)C
InChI=1S/C13H19N5/c1-10(13(2,3)4)17-12(16-9-14)18-11-5-7-15-8-6-11/h5-8,10H,1-4H3,(H2,15,16,17,18)

Mass Spectral Metadata

NameValue
M + 0
182
negative
HCD (NCE 20-30-40%)
1.483617
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)
0.8263673567819954
0.46120440325509754
244.1563
[M-H]-
1.9233908772023705 ppm
-4.6960800003148506E-4 Da