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
3
Annotation Hits

15
References

18776
Patents

337.0191 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.026376 169.2
[M+Na]+ 360.008318 179.9
[M-H]- 336.011824 173.5
[M+NH4]+ 355.052923 184.9
[M+K]+ 375.982258 174.2
[M+H-H2O]+ 320.016360 163.7
[M+HCOO]- 382.017301 179.9
[M+CH3COO]- 396.032951 180.1
[M+Na-2H]- 357.993766 172.2
[M]+ 337.01855142 173.3
[M]- 337.01964858 173.3
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