Metabolite 4-Hydroxyropivacaine

Name

4-Hydroxyropivacaine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Z6081V395Q

CAS number

Not Available

Weight

Average: 290.407
Monoisotopic: 290.199428085

Chemical Formula

C₁₇H₂₆N₂O₂

InChI Key

BWDXZCNWLNJBBI-HNNXBMFYSA-N

InChI

InChI=1S/C17H26N2O2/c1-4-8-19-9-6-5-7-15(19)17(21)18-16-12(2)10-14(20)11-13(16)3/h10-11,15,20H,4-9H2,1-3H3,(H,18,21)/t15-/m0/s1

IUPAC Name

(2S)-N-(4-hydroxy-2,6-dimethylphenyl)-1-propylpiperidine-2-carboxamide

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-002f-1790000000-3bb1e53aa1f53483aabd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0290000000-1d0703ec40be7ff8443e
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-2920000000-b84805e288031eb396da
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-1890000000-bd3e40024939c95c35c8
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01dj-6920000000-af7adf8b9781275218ad
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001u-9880000000-7ccfc2613d3d1a3e1cb3

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	172.15782	predicted	DeepCCS 1.0 (2019)
[M+H]+	174.51582	predicted	DeepCCS 1.0 (2019)
[M+Na]+	180.60896	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties