Metabolite Chloramphenicol Base N-acetyl

Name

Chloramphenicol Base N-acetyl

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 254.2393
Monoisotopic: 254.090271568

Chemical Formula

C₁₁H₁₄N₂O₅

InChI Key

PIVQDUYOEIAFDM-GHMZBOCLSA-N

InChI

InChI=1S/C11H14N2O5/c1-7(15)12-10(6-14)11(16)8-2-4-9(5-3-8)13(17)18/h2-5,10-11,14,16H,6H2,1H3,(H,12,15)/t10-,11-/m1/s1

IUPAC Name

N-[(1R,2R)-1,3-dihydroxy-1-(4-nitrophenyl)propan-2-yl]acetamide

SMILES

CC(=O)N[C@H](CO)[C@H](O)C1=CC=C(C=C1)[N+]([O-])=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0udi-2920000000-0dc0ad48a1e6bf4d475d
Predicted 1H NMR Spectrum	1D NMR	Not Applicable
Predicted 13C NMR Spectrum	1D NMR	Not Applicable

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	167.3662701	predicted	DarkChem Lite v0.1.0
[M-H]-	157.82712	predicted	DeepCCS 1.0 (2019)
[M-H]-	167.3662701	predicted	DarkChem Lite v0.1.0
[M-H]-	157.82712	predicted	DeepCCS 1.0 (2019)
[M+H]+	168.0222701	predicted	DarkChem Lite v0.1.0
[M+H]+	160.22267	predicted	DeepCCS 1.0 (2019)
[M+H]+	168.0222701	predicted	DarkChem Lite v0.1.0
[M+H]+	160.22267	predicted	DeepCCS 1.0 (2019)
[M+Na]+	168.1022701	predicted	DarkChem Lite v0.1.0
[M+Na]+	167.19032	predicted	DeepCCS 1.0 (2019)
[M+Na]+	168.1022701	predicted	DarkChem Lite v0.1.0
[M+Na]+	167.19032	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties