Metabolite Hydroxy prucalopride

Name

Hydroxy prucalopride

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 383.87
Monoisotopic: 383.161184

Chemical Formula

C₁₈H₂₆ClN₃O₄

InChI Key

YSFGXYXWLWZZEP-UHFFFAOYSA-N

InChI

InChI=1S/C18H26ClN3O4/c1-25-9-2-6-22-7-3-11(4-8-22)21-18(24)13-16(23)14(19)15(20)12-5-10-26-17(12)13/h11,23H,2-10,20H2,1H3,(H,21,24)

IUPAC Name

4-amino-5-chloro-6-hydroxy-N-[1-(3-methoxypropyl)piperidin-4-yl]-2,3-dihydro-1-benzofuran-7-carboxamide

SMILES

COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(N)C(Cl)=C1O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-624834c3636e04e55421
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-52d8d45a25192fcb7c5a
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0019000000-71c70fac7fa63b36a26c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-1329000000-deadd168c7b9f1150adf
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-08mi-2957000000-b019a62eea485e676ed4
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004r-0479000000-21f36c17fcacb5c3ccbe

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	187.48895	predicted	DeepCCS 1.0 (2019)
[M+H]+	189.84695	predicted	DeepCCS 1.0 (2019)
[M+Na]+	196.55092	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties