Metabolite N-(2-aminoethyl)-2-(2,6-dichlorophenoxy)propanamide

Name

N-(2-aminoethyl)-2-(2,6-dichlorophenoxy)propanamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

YT24TXU38S

CAS number

Not Available

Weight

Average: 277.15
Monoisotopic: 276.0432331

Chemical Formula

C₁₁H₁₄Cl₂N₂O₂

InChI Key

IYGPXILYSHJRMS-UHFFFAOYSA-N

InChI

InChI=1S/C11H14Cl2N2O2/c1-7(11(16)15-6-5-14)17-10-8(12)3-2-4-9(10)13/h2-4,7H,5-6,14H2,1H3,(H,15,16)

IUPAC Name

N-(2-aminoethyl)-2-(2,6-dichlorophenoxy)propanamide

SMILES

CC(OC1=C(Cl)C=CC=C1Cl)C(=O)NCCN

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-004i-2190000000-54596e999f228f73bfd3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-003r-9080000000-8fb0bbc0ad2fe0dfddcc
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-01vo-9310000000-92390f7af67207ddccb2
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-9200000000-55316f2b6a1b044c3a4d
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-006x-9300000000-13544d25032c5f1317e0
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-000x-9000000000-48e1cf1c20efa96b8e3c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	151.97725	predicted	DeepCCS 1.0 (2019)
[M+H]+	154.33525	predicted	DeepCCS 1.0 (2019)
[M+Na]+	160.4284	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties