Metabolite N-desalkyl prucalopride

Name

N-desalkyl prucalopride

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 295.77
Monoisotopic: 295.1087545

Chemical Formula

C₁₄H₁₈ClN₃O₂

InChI Key

ARFCANNJTSJXLS-UHFFFAOYSA-N

InChI

InChI=1S/C14H18ClN3O2/c15-11-7-10(13-9(12(11)16)3-6-20-13)14(19)18-8-1-4-17-5-2-8/h7-8,17H,1-6,16H2,(H,18,19)

IUPAC Name

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

SMILES

NC1=C2CCOC2=C(C=C1Cl)C(=O)NC1CCNCC1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0090000000-c51cc994573302eb15ab
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0690000000-8e9efb60dc8b44e68581
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-1090000000-a12e37a74a72617629ff
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0w31-9780000000-82b5925b36a2e4518d05
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-3090000000-ed2d813fc2fe06b2175b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9060000000-357dc28e4c78485dcba9

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	160.98083	predicted	DeepCCS 1.0 (2019)
[M+H]+	163.33885	predicted	DeepCCS 1.0 (2019)
[M+Na]+	169.43198	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties