Metabolite Nitroso-dapsone

Name

Nitroso-dapsone

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

Not Available

CAS number

Not Available

Weight

Average: 262.284
Monoisotopic: 262.041212886

Chemical Formula

C₁₂H₁₀N₂O₃S

InChI Key

UAQFAHXMXOCEAD-UHFFFAOYSA-N

InChI

InChI=1S/C12H10N2O3S/c13-9-1-5-11(6-2-9)18(16,17)12-7-3-10(14-15)4-8-12/h1-8H,13H2

IUPAC Name

4-(4-nitrosobenzenesulfonyl)aniline

SMILES

NC1=CC=C(C=C1)S(=O)(=O)C1=CC=C(C=C1)N=O

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0api-6970000000-6acc38285cb7174e93aa
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-c5aaa94066025ddb76d2
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-0ea95182f0f7e1159cc4
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-03di-1090000000-03f51ffe8cc1cedefd7c
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-03di-0090000000-10c99345d86a1e767c19
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-066u-9120000000-a649a36d2e8bff72b06e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0a4i-2980000000-f49c10383d1a99a6460f

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	158.68416	predicted	DeepCCS 1.0 (2019)
[M+H]+	161.04216	predicted	DeepCCS 1.0 (2019)
[M+Na]+	167.1353	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties