Metabolite Finerenone M13 Metabolite

Name

Finerenone M13 Metabolite

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 350.378
Monoisotopic: 350.137890456

Chemical Formula

C₁₉H₁₈N₄O₃

InChI Key

GGQFNSHOFQTBNK-OAHLLOKOSA-N

InChI

InChI=1S/C19H18N4O3/c1-9-8-22-19(25)16-15(14(18(21)24)10(2)23-17(9)16)12-5-4-11(7-20)6-13(12)26-3/h4-6,8,15,23H,1-3H3,(H2,21,24)(H,22,25)/t15-/m1/s1

IUPAC Name

(4S)-4-(4-cyano-2-methoxyphenyl)-5-hydroxy-2,8-dimethyl-1,4-dihydro-1,6-naphthyridine-3-carboxamide

SMILES

COC1=CC(=CC=C1[C@@H]1C(C(N)=O)=C(C)NC2=C1C(O)=NC=C2C)C#N

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f89-0009000000-9226f42b19fc7db2ec89
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0002-0039000000-e272e0a69d1448b4772b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-92514c0f3d8cbaa40c2c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0005-2169000000-02819fddc137210c15d1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fmi-0961000000-76f7734dba7d5f991ad5
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-2692000000-420cfb095cf7f0232c23

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	180.84816	predicted	DeepCCS 1.0 (2019)
[M+H]+	183.23141	predicted	DeepCCS 1.0 (2019)
[M+Na]+	189.91812	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties