CID 6436090

Piroxicam cinnamate

Structural Information

Molecular Formula
C24H19N3O5S
SMILES
CN1C(=C(C2=CC=CC=C2S1(=O)=O)OC(=O)/C=C/C3=CC=CC=C3)C(=O)NC4=CC=CC=N4
InChI
InChI=1S/C24H19N3O5S/c1-27-22(24(29)26-20-13-7-8-16-25-20)23(18-11-5-6-12-19(18)33(27,30)31)32-21(28)15-14-17-9-3-2-4-10-17/h2-16H,1H3,(H,25,26,29)/b15-14+
InChIKey
GPUVGQIASQNZET-CCEZHUSRSA-N
Compound name
[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl] (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

15
References

4408
Patents

461.10455 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 462.11183 203.6
[M+Na]+ 484.09377 217.7
[M+NH4]+ 479.13837 209.9
[M+K]+ 500.06771 206.9
[M-H]- 460.09727 208.0
[M+Na-2H]- 482.07922 213.4
[M]+ 461.10400 207.3
[M]- 461.10510 207.3
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