CID 5329

Sulfamethoxazole

Structural Information

Molecular Formula
C10H11N3O3S
SMILES
CC1=CC(=NO1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C10H11N3O3S/c1-7-6-10(12-16-7)13-17(14,15)9-4-2-8(11)3-5-9/h2-6H,11H2,1H3,(H,12,13)
InChIKey
JLKIGFTWXXRPMT-UHFFFAOYSA-N
Compound name
4-amino-N-(5-methyl-1,2-oxazol-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

7649
References

53363
Patents

253.05211 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05939 154.1
[M+Na]+ 276.04133 164.4
[M+NH4]+ 271.08593 160.6
[M+K]+ 292.01527 160.5
[M-H]- 252.04483 157.7
[M+Na-2H]- 274.02678 159.8
[M]+ 253.05156 156.8
[M]- 253.05266 156.8
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