CID 5344

Sulfisoxazole

Structural Information

Molecular Formula
C11H13N3O3S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H13N3O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,12H2,1-2H3
InChIKey
NHUHCSRWZMLRLA-UHFFFAOYSA-N
Compound name
4-amino-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

1193
References

34706
Patents

267.06775 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.07503 158.1
[M+Na]+ 290.05697 167.9
[M-H]- 266.06047 165.1
[M+NH4]+ 285.10157 173.8
[M+K]+ 306.03091 165.0
[M+H-H2O]+ 250.06501 151.2
[M+HCOO]- 312.06595 177.8
[M+CH3COO]- 326.08160 197.3
[M+Na-2H]- 288.04242 161.8
[M]+ 267.06720 161.2
[M]- 267.06830 161.2
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.