Metabolite Chloramphenicol Base

Name

Chloramphenicol Base

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 212.205
Monoisotopic: 212.079706874

Chemical Formula

C₉H₁₂N₂O₄

InChI Key

OCYJXSUPZMNXEN-RKDXNWHRSA-N

InChI

InChI=1S/C9H12N2O4/c10-8(5-12)9(13)6-1-3-7(4-2-6)11(14)15/h1-4,8-9,12-13H,5,10H2/t8-,9-/m1/s1

IUPAC Name

(1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol

SMILES

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

Reactions

Spectra

Not Available

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	156.0051065	predicted	DarkChem Lite v0.1.0
[M-H]-	156.1719065	predicted	DarkChem Lite v0.1.0
[M-H]-	142.9439	predicted	DeepCCS 1.0 (2019)
[M+H]+	156.4778065	predicted	DarkChem Lite v0.1.0
[M+H]+	156.3540065	predicted	DarkChem Lite v0.1.0
[M+H]+	145.44037	predicted	DeepCCS 1.0 (2019)
[M+Na]+	156.1579065	predicted	DarkChem Lite v0.1.0
[M+Na]+	156.0768065	predicted	DarkChem Lite v0.1.0
[M+Na]+	153.48308	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties