Spectrum FiehnHILIC002875 for Nateglinide

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
OELFLUMRDSZNSF-OFLPRAFFSA-N
C19H27NO3
317.199093724
O=C(O)C(N=C(O)C1CCC(CC1)C(C)C)CC=2C=CC=CC2
InChI=1S/C19H27NO3/c1-13(2)15-8-10-16(11-9-15)18(21)20-17(19(22)23)12-14-6-4-3-5-7-14/h3-7,13,15-17H,8-12H2,1-2H3,(H,20,21)(H,22,23)/t15?,16?,17-/m1/s1

Mass Spectral Metadata

NameValue
M + 0
1.32375
15 eV
negative
117
35 eV
LC-ESI-QTOF
SCIEX TripleTOF 6600
Michael Sa and Megan Showalter
MS2
Waters Acquity UPLC BEH Amide column (2.1 x 150mm: 1.7µm)
1.1533504210162928
0.4496581648527102
316.194
[M-H]-
6.901699589445071 ppm
0.002182275999984995 Da