CID 65679

Droxicam

Structural Information

Molecular Formula
C16H11N3O5S
SMILES
CN1C2=C(C3=CC=CC=C3S1(=O)=O)OC(=O)N(C2=O)C4=CC=CC=N4
InChI
InChI=1S/C16H11N3O5S/c1-18-13-14(10-6-2-3-7-11(10)25(18,22)23)24-16(21)19(15(13)20)12-8-4-5-9-17-12/h2-9H,1H3
InChIKey
OEHFRZLKGRKFAS-UHFFFAOYSA-N
Compound name
5-methyl-6,6-dioxo-3-pyridin-2-yl-[1,3]oxazino[5,6-c][1,2]benzothiazine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

53
References

14423
Patents

357.04193 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.04921 177.4
[M+Na]+ 380.03115 191.7
[M-H]- 356.03465 184.1
[M+NH4]+ 375.07575 189.5
[M+K]+ 396.00509 187.2
[M+H-H2O]+ 340.03919 167.7
[M+HCOO]- 402.04013 190.8
[M+CH3COO]- 416.05578 189.1
[M+Na-2H]- 378.01660 184.8
[M]+ 357.04138 184.5
[M]- 357.04248 184.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.