Metabolite N-formyl Trimetazidine

Name

N-formyl Trimetazidine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 294.351
Monoisotopic: 294.157957196

Chemical Formula

C₁₅H₂₂N₂O₄

InChI Key

QHURJNCDEVRNDT-UHFFFAOYSA-N

InChI

InChI=1S/C15H22N2O4/c1-19-13-5-4-12(14(20-2)15(13)21-3)10-16-6-8-17(11-18)9-7-16/h4-5,11H,6-10H2,1-3H3

IUPAC Name

4-[(2,3,4-trimethoxyphenyl)methyl]piperazine-1-carbaldehyde

SMILES

COC1=C(OC)C(OC)=C(CN2CCN(CC2)C=O)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000t-0890000000-35081f644f9d84e526fa
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-0090000000-1483159f2992a0f54da1
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00mk-4790000000-64d76592e02128ff2c27
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-02cv-0090000000-4cdfdcf704f56bec2b49
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0fza-9880000000-570be39508c1999deb2b
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4m-3490000000-cda47f9f12df090327c3

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	184.9829885	predicted	DarkChem Lite v0.1.0
[M-H]-	171.82562	predicted	DeepCCS 1.0 (2019)
[M+H]+	183.2561885	predicted	DarkChem Lite v0.1.0
[M+H]+	174.18362	predicted	DeepCCS 1.0 (2019)
[M+Na]+	186.1856885	predicted	DarkChem Lite v0.1.0
[M+Na]+	180.27676	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties