Metabolite Trimetazidine Ketopiperazine

Name

Trimetazidine Ketopiperazine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 280.324
Monoisotopic: 280.142307132

Chemical Formula

C₁₄H₂₀N₂O₄

InChI Key

JANVTOWRQNFCLB-UHFFFAOYSA-N

InChI

InChI=1S/C14H20N2O4/c1-18-11-5-4-10(13(19-2)14(11)20-3)8-16-7-6-15-12(17)9-16/h4-5H,6-9H2,1-3H3,(H,15,17)

IUPAC Name

4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-2-one

SMILES

COC1=C(OC)C(OC)=C(CN2CCNC(=O)C2)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-001i-0090000000-9994deae24e2e76349a2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-004i-0090000000-67f8cedb6f366ffdf442
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01q9-1980000000-e89e8744a6ffb1b2bc97
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00os-0290000000-c5af3dfabc86ce1a46c4
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006w-9420000000-a9c49bd6abbfacf2111b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01vo-4950000000-25f41372c02fe397a78b

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.05095	predicted	DeepCCS 1.0 (2019)
[M+H]+	169.40895	predicted	DeepCCS 1.0 (2019)
[M+Na]+	175.50209	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties