CID 6662

Sulfisoxazole acetyl

Structural Information

Molecular Formula
C13H15N3O4S
SMILES
CC1=C(ON=C1C)N(C(=O)C)S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H15N3O4S/c1-8-9(2)15-20-13(8)16(10(3)17)21(18,19)12-6-4-11(14)5-7-12/h4-7H,14H2,1-3H3
InChIKey
JFNWFXVFBDDWCX-UHFFFAOYSA-N
Compound name
N-(4-aminophenyl)sulfonyl-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

25
References

4932
Patents

309.07834 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08562 169.6
[M+Na]+ 332.06756 179.0
[M+NH4]+ 327.11216 174.9
[M+K]+ 348.04150 176.5
[M-H]- 308.07106 172.6
[M+Na-2H]- 330.05301 173.9
[M]+ 309.07779 171.9
[M]- 309.07889 171.9
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