Metabolite N-acetyl zonisamide

Name

N-acetyl zonisamide

Description

Not Available

Structure

Similar Structures

Synonyms

Not Available

UNII

W578C73W1Z

CAS number

Not Available

Weight

Average: 254.262
Monoisotopic: 254.036127508

Chemical Formula

C₁₀H₁₀N₂O₄S

InChI Key

HXFUTAFSEXINIW-UHFFFAOYSA-N

InChI

InChI=1S/C10H10N2O4S/c1-7(13)12-17(14,15)6-9-8-4-2-3-5-10(8)16-11-9/h2-5H,6H2,1H3,(H,12,13)

IUPAC Name

N-[(1,2-benzoxazol-3-yl)methanesulfonyl]acetamide

SMILES

CC(=O)NS(=O)(=O)CC1=NOC2=C1C=CC=C2

Reactions

Spectra

Spectrum	Spectrum Type	Splash Key
Predicted GC-MS Spectrum - GC-MS	Predicted GC-MS	splash10-001i-3910000000-5a7d8e1c427a0684b7b8
Predicted MS/MS Spectrum - 10V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0a4i-0390000000-1ae00082ede8ab8e5165
Predicted MS/MS Spectrum - 10V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0udi-4490000000-a8a4fe3d2d06e61948ac
Predicted MS/MS Spectrum - 20V, Negative (Annotated)	Predicted LC-MS/MS	splash10-01t9-9460000000-c5ab1fb94a017a179923
Predicted MS/MS Spectrum - 20V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0089-0920000000-e62bb112db83ef244052
Predicted MS/MS Spectrum - 40V, Negative (Annotated)	Predicted LC-MS/MS	splash10-0006-9500000000-154e7fbae606e5442822
Predicted MS/MS Spectrum - 40V, Positive (Annotated)	Predicted LC-MS/MS	splash10-0f96-9700000000-afa3a16da706f2485ace

Chromatographic Properties

Adduct	CCS Value (Å²)	Source type	Source
[M-H]-	160.7480628	predicted	DarkChem Lite v0.1.0
[M-H]-	154.9366628	predicted	DarkChem Lite v0.1.0
[M-H]-	146.07591	predicted	DeepCCS 1.0 (2019)
[M+H]+	161.1361628	predicted	DarkChem Lite v0.1.0
[M+H]+	155.5090628	predicted	DarkChem Lite v0.1.0
[M+H]+	148.47054	predicted	DeepCCS 1.0 (2019)
[M+Na]+	160.9063628	predicted	DarkChem Lite v0.1.0
[M+Na]+	155.5053628	predicted	DarkChem Lite v0.1.0
[M+Na]+	154.52705	predicted	DeepCCS 1.0 (2019)

External Links

Predicted Properties