Metabolite Chloramphenicol Aryl Amine

Name

Chloramphenicol Aryl Amine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 182.223
Monoisotopic: 182.105527699

Chemical Formula

C₉H₁₄N₂O₂

InChI Key

HOSHJSFGXZIFCZ-RKDXNWHRSA-N

InChI

InChI=1S/C9H14N2O2/c10-7-3-1-6(2-4-7)9(13)8(11)5-12/h1-4,8-9,12-13H,5,10-11H2/t8-,9-/m1/s1

IUPAC Name

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

SMILES

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

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-000j-0900000000-2d26a6b8e8b88ed94757
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-00e9-0900000000-e54be0afb84dc68a2932
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0002-0900000000-98c88e4cde3a3124af4d
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-001i-4900000000-d7ccbd98600bd1efde31
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-3900000000-e4def700e9279b0fda58
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-006x-9700000000-52b6cfc18fd29356f8db

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	145.49854	predicted	DeepCCS 1.0 (2019)
[M+H]+	147.8941	predicted	DeepCCS 1.0 (2019)
[M+Na]+	153.80663	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties