Metabolite Sulfamethoxazole N4-hydroxylamine

Name

Sulfamethoxazole N4-hydroxylamine

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

S4YF7G89MZ

CAS number

Not Available

Weight

Average: 269.277
Monoisotopic: 269.047026545

Chemical Formula

C₁₀H₁₁N₃O₄S

InChI Key

MJAMPGKHIZXVFJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H11N3O4S/c1-7-6-10(12-17-7)13-18(15,16)9-4-2-8(11-14)3-5-9/h2-6,11,14H,1H3,(H,12,13)

IUPAC Name

4-(hydroxyamino)-N-(5-methyl-1,2-oxazol-3-yl)benzene-1-sulfonamide

SMILES

CC1=CC(NS(=O)(=O)C2=CC=C(NO)C=C2)=NO1

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-0a4i-9440000000-94f20d3af55fb47fdbe4
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-00di-0890000000-a2b9ffdad4fcd791780d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-0190000000-7a928d63f426b2245282
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-05fr-0910000000-825dc0e7a4940aa0458b
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014i-1980000000-295b186935e1236b1f36
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-014i-9100000000-eef500c25a896cc13dde
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-014r-9010000000-05e77d15c95a0aad246c

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	172.5594831	predicted	DarkChem Lite v0.1.0
[M-H]-	172.2929831	predicted	DarkChem Lite v0.1.0
[M-H]-	172.5563831	predicted	DarkChem Lite v0.1.0
[M-H]-	151.85667	predicted	DeepCCS 1.0 (2019)
[M+H]+	173.4138831	predicted	DarkChem Lite v0.1.0
[M+H]+	172.3781831	predicted	DarkChem Lite v0.1.0
[M+H]+	172.9567831	predicted	DarkChem Lite v0.1.0
[M+H]+	154.21468	predicted	DeepCCS 1.0 (2019)
[M+Na]+	173.0327831	predicted	DarkChem Lite v0.1.0
[M+Na]+	172.5924831	predicted	DarkChem Lite v0.1.0
[M+Na]+	172.6769831	predicted	DarkChem Lite v0.1.0
[M+Na]+	160.30782	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties