CID 54682951

Sudoxicam

Structural Information

Molecular Formula
C13H11N3O4S2
SMILES
CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=CS3
InChI
InChI=1S/C13H11N3O4S2/c1-16-10(12(18)15-13-14-6-7-21-13)11(17)8-4-2-3-5-9(8)22(16,19)20/h2-7,17H,1H3,(H,14,15,18)
InChIKey
SYCHUQUJURZQMO-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-1,1-dioxo-N-(1,3-thiazol-2-yl)-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

17961
Patents

337.0191 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.02638 170.2
[M+Na]+ 360.00832 181.1
[M+NH4]+ 355.05292 178.0
[M+K]+ 375.98226 172.7
[M-H]- 336.01182 171.9
[M+Na-2H]- 357.99377 176.2
[M]+ 337.01855 173.1
[M]- 337.01965 173.1
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