Metabolite Desmethyl prucalopride

Name

Desmethyl prucalopride

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 353.85
Monoisotopic: 353.1506193

Chemical Formula

C₁₇H₂₄ClN₃O₃

InChI Key

WGPKFPITTNLUMI-UHFFFAOYSA-N

InChI

InChI=1S/C17H24ClN3O3/c18-14-10-13(16-12(15(14)19)4-9-24-16)17(23)20-11-2-6-21(7-3-11)5-1-8-22/h10-11,22H,1-9,19H2,(H,20,23)

IUPAC Name

4-amino-5-chloro-N-[1-(3-hydroxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

SMILES

NC1=C2CCOC2=C(C=C1Cl)C(=O)NC1CCN(CCCO)CC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0009000000-2a520dedd2b77a8dae3a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-1009000000-f9c56c06e19a8e3fc3f8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0udi-0109000000-bfa8832c89523cd84d2e
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ue9-3009000000-4122477c9e7660f6517a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-2934000000-ebdeb189fc49467b1453
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-8191000000-1cf94bff66b952ecb1d6

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	175.37392	predicted	DeepCCS 1.0 (2019)
[M+H]+	177.73192	predicted	DeepCCS 1.0 (2019)
[M+Na]+	183.82507	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties