Metabolite Reduced Fenofibric Acid

Name

Reduced Fenofibric Acid

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

2VG7825GP4

CAS number

Not Available

Weight

Average: 320.77
Monoisotopic: 320.0815367

Chemical Formula

C₁₇H₁₇ClO₄

InChI Key

ASDCLYXOQCGHNT-UHFFFAOYSA-N

InChI

InChI=1S/C17H17ClO4/c1-17(2,16(20)21)22-14-9-5-12(6-10-14)15(19)11-3-7-13(18)8-4-11/h3-10,15,19H,1-2H3,(H,20,21)

IUPAC Name

2-{4-[(4-chlorophenyl)(hydroxy)methyl]phenoxy}-2-methylpropanoic acid

SMILES

CC(C)(OC1=CC=C(C=C1)C(O)C1=CC=C(Cl)C=C1)C(O)=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0pvi-0094000000-8f801b2569d7ab42731e
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00ec-4950000000-b7baccd77aeedf47358a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-066r-0190000000-537ea6651165d53731da
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9120000000-354d9d9c14f4b1dc0ce9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0aor-0690000000-9db9a6557f7e13963aef
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9240000000-eb892973c99acc4a38e3

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	169.8026	predicted	DeepCCS 1.0 (2019)
[M+H]+	172.16058	predicted	DeepCCS 1.0 (2019)
[M+Na]+	178.25374	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties