CID 87725

N(1)-acetylsulfamethoxazole

Structural Information

Molecular Formula

C₁₂H₁₃N₃O₄S

SMILES

CC1=CC(=NO1)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15(9(2)16)20(17,18)11-5-3-10(13)4-6-11/h3-7H,13H2,1-2H3

InChIKey

WOTJLXVSBKKTTH-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 1
Patents: 295.06268 Da
Monoisotopic Mass: 0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	296.06996	165.2
[M+Na]+	318.05190	173.5
[M-H]-	294.05540	173.3
[M+NH4]+	313.09650	179.9
[M+K]+	334.02584	172.5
[M+H-H2O]+	278.05994	157.8
[M+HCOO]-	340.06088	184.4
[M+CH3COO]-	354.07653	204.0
[M+Na-2H]-	316.03735	167.7
[M]+	295.06213	169.6
[M]-	295.06323	169.6

Literature stripe

literature stripe

Patent stripe

patents stripe