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

59
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

literature stripe

Patent stripe

patents stripe