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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.06996 164.8
[M+Na]+ 318.05190 174.0
[M+NH4]+ 313.09650 170.2
[M+K]+ 334.02584 171.5
[M-H]- 294.05540 167.7
[M+Na-2H]- 316.03735 169.6
[M]+ 295.06213 167.0
[M]- 295.06323 167.0
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