Metabolite Meta-O-dealkylated flecainide

Name

Meta-O-dealkylated flecainide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

K6RB757PWW

CAS number

Not Available

Weight

Average: 332.3182
Monoisotopic: 332.134777099

Chemical Formula

C₁₅H₁₉F₃N₂O₃

InChI Key

FVJPPEWHZCSTAC-UHFFFAOYSA-N

InChI

InChI=1S/C15H19F3N2O3/c16-15(17,18)9-23-13-5-4-11(21)7-12(13)14(22)20-8-10-3-1-2-6-19-10/h4-5,7,10,19,21H,1-3,6,8-9H2,(H,20,22)

IUPAC Name

5-hydroxy-N-[(piperidin-2-yl)methyl]-2-(2,2,2-trifluoroethoxy)benzamide

SMILES

OC1=CC=C(OCC(F)(F)F)C(=C1)C(=O)NCC1CCCCN1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-00sj-9272000000-82f100221b0a392c9032
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001j-5009000000-381c816e62ba8945de74
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-fa164834f9bada73c63c
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00lr-2029000000-f496bc957a08f41047dc
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0f80-1931000000-b781e228358a45d08df2
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0532-9321000000-2e9d31daf7fa8c1c5d7a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0019-1961000000-f8ea77a8efdeff98a45c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	176.1157583	predicted	DarkChem Lite v0.1.0
[M-H]-	167.80566	predicted	DeepCCS 1.0 (2019)
[M+H]+	176.7525583	predicted	DarkChem Lite v0.1.0
[M+H]+	170.16393	predicted	DeepCCS 1.0 (2019)
[M+Na]+	176.2875583	predicted	DarkChem Lite v0.1.0
[M+Na]+	176.25706	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties