CID 168720536

Carboxy-sulfamethoxazole

Structural Information

Molecular Formula
C11H11N3O4S
SMILES
CC(=O)C1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C11H11N3O4S/c1-7(15)10-6-11(13-18-10)14-19(16,17)9-4-2-8(12)3-5-9/h2-6H,12H2,1H3,(H,13,14)
InChIKey
IKRDIJZZCVWWKQ-UHFFFAOYSA-N
Compound name
N-(5-acetyl-1,2-oxazol-3-yl)-4-aminobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.04703 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.05431 160.7
[M+Na]+ 304.03625 170.0
[M+NH4]+ 299.08085 166.1
[M+K]+ 320.01019 167.2
[M-H]- 280.03975 163.4
[M+Na-2H]- 302.02170 165.5
[M]+ 281.04648 162.9
[M]- 281.04758 162.9
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

No patent data available for this compound.