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 160.4
[M+Na]+ 304.03625 168.9
[M-H]- 280.03975 167.1
[M+NH4]+ 299.08085 174.9
[M+K]+ 320.01019 166.7
[M+H-H2O]+ 264.04429 153.2
[M+HCOO]- 326.04523 179.4
[M+CH3COO]- 340.06088 198.5
[M+Na-2H]- 302.02170 164.0
[M]+ 281.04648 163.2
[M]- 281.04758 163.2
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.