CID 54677972

Isoxicam

Structural Information

Molecular Formula
C14H13N3O5S
SMILES
CC1=CC(=NO1)NC(=O)C2=C(C3=CC=CC=C3S(=O)(=O)N2C)O
InChI
InChI=1S/C14H13N3O5S/c1-8-7-11(16-22-8)15-14(19)12-13(18)9-5-3-4-6-10(9)23(20,21)17(12)2/h3-7,18H,1-2H3,(H,15,16,19)
InChIKey
YYUAYBYLJSNDCX-UHFFFAOYSA-N
Compound name
4-hydroxy-2-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

134
References

27062
Patents

335.0576 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.06488 171.1
[M+Na]+ 358.04682 182.2
[M-H]- 334.05032 177.0
[M+NH4]+ 353.09142 185.6
[M+K]+ 374.02076 179.2
[M+H-H2O]+ 318.05486 164.7
[M+HCOO]- 380.05580 186.1
[M+CH3COO]- 394.07145 206.2
[M+Na-2H]- 356.03227 174.4
[M]+ 335.05705 176.7
[M]- 335.05815 176.7
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