Metabolite Levamlodipine M9 metabolite

Name

Levamlodipine M9 metabolite

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

38Q8451QLU

CAS number

Not Available

Weight

Average: 406.86
Monoisotopic: 406.1295495

Chemical Formula

C₂₀H₂₃ClN₂O₅

InChI Key

APZSGEHAFPIYQZ-UHFFFAOYSA-N

InChI

InChI=1S/C20H23ClN2O5/c1-4-28-20(25)18-15(11-27-10-9-22)23-12(2)16(19(24)26-3)17(18)13-7-5-6-8-14(13)21/h5-8H,4,9-11,22H2,1-3H3

IUPAC Name

3-ethyl 5-methyl 2-[(2-aminoethoxy)methyl]-4-(2-chlorophenyl)-6-methylpyridine-3,5-dicarboxylate

SMILES

CCOC(=O)C1=C(C2=CC=CC=C2Cl)C(C(=O)OC)=C(C)N=C1COCCN

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01t9-1009000000-df3ef052895fad06c636
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0bu0-2009200000-1657a05ac3733ca7d429
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0gba-0009000000-7766c93ac89f14cd1b30
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03e9-3009000000-d6268e2908d7195a9609
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-7029000000-9ffed01fe155d40a7a23
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fr6-1039000000-d2a8652492234fb0e8e0

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.69539	predicted	DeepCCS 1.0 (2019)
[M+H]+	190.19254	predicted	DeepCCS 1.0 (2019)
[M+Na]+	197.35371	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties