Metabolite 3-hydroxyropivacaine

Name

3-hydroxyropivacaine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 290.407
Monoisotopic: 290.199428085

Chemical Formula

C₁₇H₂₆N₂O₂

InChI Key

IXOVDWXTIIYVOJ-AWEZNQCLSA-N

InChI

InChI=1S/C17H26N2O2/c1-4-10-19-11-6-5-7-14(19)17(21)18-16-12(2)8-9-15(20)13(16)3/h8-9,14,20H,4-7,10-11H2,1-3H3,(H,18,21)/t14-/m0/s1

IUPAC Name

(2S)-N-(3-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide

SMILES

CCCN1CCCC[C@H]1C(=O)NC1=C(C)C(O)=CC=C1C

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002f-0790000000-1c35882a62e7c325b617
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0390000000-04284d9da2365940f00b
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-3910000000-cf3991905249aac81117
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-1790000000-99d473906a74da53543a
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00tb-6910000000-89a089f15abeae6ec4cd
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001c-6950000000-6209bdbc8d6ddf79590d

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	170.80408	predicted	DeepCCS 1.0 (2019)
[M+H]+	173.16206	predicted	DeepCCS 1.0 (2019)
[M+Na]+	179.25523	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties