Metabolite dehydrofelodipine

Name

dehydrofelodipine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

1L4A1EP86I

CAS number

Not Available

Weight

Average: 382.238
Monoisotopic: 381.053463451

Chemical Formula

C₁₈H₁₇Cl₂NO₄

InChI Key

REQRUBNOOIAHMG-UHFFFAOYSA-N

InChI

InChI=1S/C18H17Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22)24-4)15(14)11-7-6-8-12(19)16(11)20/h6-8H,5H2,1-4H3

IUPAC Name

3-ethyl 5-methyl 4-(2,3-dichlorophenyl)-2,6-dimethylpyridine-3,5-dicarboxylate

SMILES

CCOC(=O)C1=C(C)N=C(C)C(C(=O)OC)=C1C1=C(Cl)C(Cl)=CC=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-004i-5009000000-b2aaa6cb06a9cd5f00f0
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-774a5ced2e3f1c4f57da
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0zmi-0009000000-d4fed3ae95f06d0d7449
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f89-0009000000-96b5b725205696991e68
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0zmi-0169000000-f8e1dee90447d690b3fb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000t-1019000000-3da1bec92e8095bc88c0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9020000000-052e8d19547d17dfd893

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	185.881229	predicted	DarkChem Lite v0.1.0
[M-H]-	186.27647	predicted	DeepCCS 1.0 (2019)
[M+H]+	186.692229	predicted	DarkChem Lite v0.1.0
[M+H]+	188.63448	predicted	DeepCCS 1.0 (2019)
[M+Na]+	186.375029	predicted	DarkChem Lite v0.1.0
[M+Na]+	195.38695	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties