CID 65280

N(4)-acetylsulfamethoxazole

Structural Information

Molecular Formula
C12H13N3O4S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C
InChI
InChI=1S/C12H13N3O4S/c1-8-7-12(14-19-8)15-20(17,18)11-5-3-10(4-6-11)13-9(2)16/h3-7H,1-2H3,(H,13,16)(H,14,15)
InChIKey
GXPIUNZCALHVBA-UHFFFAOYSA-N
Compound name
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

39
References

64
Patents

295.06268 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06996 164.8
[M+Na]+ 318.05190 173.1
[M-H]- 294.05540 171.9
[M+NH4]+ 313.09650 179.2
[M+K]+ 334.02584 170.9
[M+H-H2O]+ 278.05994 157.5
[M+HCOO]- 340.06088 184.2
[M+CH3COO]- 354.07653 201.3
[M+Na-2H]- 316.03735 169.0
[M]+ 295.06213 168.9
[M]- 295.06323 168.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.