Metabolite dapsone hydroxylamine

Name

dapsone hydroxylamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

GS5815Z51W

CAS number

Not Available

Weight

Average: 264.3
Monoisotopic: 264.05686295

Chemical Formula

C₁₂H₁₂N₂O₃S

InChI Key

IYDSJDWESCGRKW-UHFFFAOYSA-N

InChI

InChI=1S/C12H12N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8,14-15H,13H2

IUPAC Name

4-[4-(hydroxyamino)benzenesulfonyl]aniline

SMILES

NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(NO)C=C1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-2930000000-963db6335e517b89cb9b
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-0090000000-b5ba7a132be70122cccd
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-1e82174184b5d717d0b8
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-066r-0790000000-b94adc72373c0c8dc351
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014l-9130000000-7f20cd1caa13e41aa0af
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-a48a7f9fab4857056e7c
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-056r-1900000000-9e6ad3969b15487d68f8

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	170.4918434	predicted	DarkChem Lite v0.1.0
[M-H]-	170.8490434	predicted	DarkChem Lite v0.1.0
[M-H]-	161.11299	predicted	DeepCCS 1.0 (2019)
[M+H]+	171.5657434	predicted	DarkChem Lite v0.1.0
[M+H]+	171.2036434	predicted	DarkChem Lite v0.1.0
[M+H]+	163.471	predicted	DeepCCS 1.0 (2019)
[M+Na]+	171.0418434	predicted	DarkChem Lite v0.1.0
[M+Na]+	170.6648434	predicted	DarkChem Lite v0.1.0
[M+Na]+	169.56413	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties