Metabolite 2-Hydroxymethylropivacaine

Name

2-Hydroxymethylropivacaine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

UIR389WIVW

CAS number

Not Available

Weight

Average: 290.407
Monoisotopic: 290.199428085

Chemical Formula

C₁₇H₂₆N₂O₂

InChI Key

NGTRYFUSTNUYGD-HNNXBMFYSA-N

InChI

InChI=1S/C17H26N2O2/c1-3-10-19-11-5-4-9-15(19)17(21)18-16-13(2)7-6-8-14(16)12-20/h6-8,15,20H,3-5,9-12H2,1-2H3,(H,18,21)/t15-/m0/s1

IUPAC Name

(2S)-N-[2-(hydroxymethyl)-6-methylphenyl]-1-propylpiperidine-2-carboxamide

SMILES

CCCN1CCCC[C@H]1C(=O)NC1=C(C)C=CC=C1CO

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0590000000-1439ae5d891a03db08cd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-052r-1190000000-0ae7195a308bca996cd3
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-3930000000-5adba590c0f8a93e03c8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-053i-1490000000-5abfe6002b9de3c6d8a4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ba-3910000000-f97c3b418bc978f32f54
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000x-7980000000-dddf959d62eaadb9b341

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	172.71553	predicted	DeepCCS 1.0 (2019)
[M+H]+	175.07353	predicted	DeepCCS 1.0 (2019)
[M+Na]+	181.16669	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties