Metabolite MYK-2210

Name

MYK-2210

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 289.335
Monoisotopic: 289.142641484

Chemical Formula

C₁₅H₁₉N₃O₃

InChI Key

DTYSXMSIXPIKMV-JTQLQIEISA-N

InChI

InChI=1S/C15H19N3O3/c1-9(2)18-14(20)8-13(17-15(18)21)16-10(3)11-4-6-12(19)7-5-11/h4-10,16,19H,1-3H3,(H,17,21)/t10-/m0/s1

IUPAC Name

6-{[(1S)-1-(4-hydroxyphenyl)ethyl]amino}-3-(propan-2-yl)-1,2,3,4-tetrahydropyrimidine-2,4-dione

SMILES

CC(C)N1C(=O)NC(N[C@@H](C)C2=CC=C(O)C=C2)=CC1=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0006-0390000000-27faaf3ba4341ec9b9ba
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000i-0490000000-9e3111ede40e8f538a08
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00ec-0690000000-b9d61397eb8b3e4ab5ec
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0fki-1690000000-347a7abec8df15d9dcd9
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-1960000000-60cd37f643946a165e4f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0ki6-3950000000-bcf0f6dbf6e9e14a0696

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	165.4483	predicted	DeepCCS 1.0 (2019)
[M+H]+	167.8063	predicted	DeepCCS 1.0 (2019)
[M+Na]+	174.17938	predicted	DeepCCS 1.0 (2019)

External Links

Not Available

Predicted Properties