Metabolite Finerenone M2 Metabolite

Name

Finerenone M2 Metabolite

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

MUC5R84538

CAS number

Not Available

Weight

Average: 392.415
Monoisotopic: 392.14845514

Chemical Formula

C₂₁H₂₀N₄O₄

InChI Key

NDDMAQJAHPLAFV-UHFFFAOYSA-N

InChI

InChI=1S/C21H20N4O4/c1-4-29-21-18-17(14-6-5-12(8-22)7-15(14)28-3)16(20(23)27)11(2)25-19(18)13(10-26)9-24-21/h5-7,9,26H,4,10H2,1-3H3,(H2,23,27)

IUPAC Name

4-(4-cyano-2-methoxyphenyl)-5-ethoxy-8-(hydroxymethyl)-2-methyl-1,6-naphthyridine-3-carboxamide

SMILES

CCOC1=NC=C(CO)C2=NC(C)=C(C(N)=O)C(C3=CC=C(C=C3OC)C#N)=C12

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004l-0009000000-3442276a0cb95a909ec0
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001c-0009000000-7d548dab06092b818dde
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-0009000000-400a65da34a0c3a9c1d4
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00l7-0009000000-7c68ddb1f7ca58048ee0
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01pn-0059000000-68e208d300e4f7807490
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000w-1019000000-635beb7e329cf380913f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	197.00645	predicted	DeepCCS 1.0 (2019)
[M+H]+	199.36447	predicted	DeepCCS 1.0 (2019)
[M+Na]+	205.6908	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties