Metabolite Prucalopride hydroxylamine

Name

Prucalopride hydroxylamine

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

TVLVYRVBHSHFCG-UHFFFAOYSA-N

InChI

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

IUPAC Name

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

SMILES

COCCCN1CCC(CC1)NC(=O)C1=C2OCCC2=C(NO)C(Cl)=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-26388b8b150984d60855
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-0009000000-a23db973b3d97feab5a8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0019000000-01b663b8b200be78caa0
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ac0-0009000000-c96e5aebcf3051d84e78
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-06z0-2759000000-68f7840f3e2f2a823369
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001l-4189000000-10de7e086f921e96c862

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	191.01126	predicted	DeepCCS 1.0 (2019)
[M+H]+	193.37997	predicted	DeepCCS 1.0 (2019)
[M+Na]+	200.15454	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties