Metabolite CVT-3389

Name

CVT-3389

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 263.341
Monoisotopic: 263.163376928

Chemical Formula

C₁₄H₂₁N₃O₂

InChI Key

GRYFTMRNJOYUQF-UHFFFAOYSA-N

InChI

InChI=1S/C14H21N3O2/c1-10-3-4-12(18)11(2)14(10)16-13(19)9-17-7-5-15-6-8-17/h3-4,15,18H,5-9H2,1-2H3,(H,16,19)

IUPAC Name

N-(3-hydroxy-2,6-dimethylphenyl)-2-(piperazin-1-yl)acetamide

SMILES

CC1=C(NC(=O)CN2CCNCC2)C(C)=C(O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01t9-0960000000-59fb44cf6294e89441aa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0390000000-f71c457fc3ab284abf29
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-2910000000-b44550d52bab344f912f
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01ot-6590000000-30fc3ce2990821373c09
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-9420000000-186ba49dbe73b77589a3
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9320000000-91b934ead62910906adc

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	164.09966	predicted	DeepCCS 1.0 (2019)
[M+H]+	166.45766	predicted	DeepCCS 1.0 (2019)
[M+Na]+	172.55081	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties