PubChemLite - Piroxicam cinnamate (C24H19N3O5S)

Structural Information

Molecular Formula

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

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	462.11183	207.4
[M+Na]+	484.09377	214.6
[M-H]-	460.09727	214.9
[M+NH4]+	479.13837	215.1
[M+K]+	500.06771	208.6
[M+H-H2O]+	444.10181	196.2
[M+HCOO]-	506.10275	220.9
[M+CH3COO]-	520.11840	231.1
[M+Na-2H]-	482.07922	210.6
[M]+	461.10400	210.9
[M]-	461.10510	210.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.11183

207.4

[M+Na]+

484.09377

214.6

[M-H]-

460.09727

214.9

[M+NH4]+

479.13837

215.1

[M+K]+

500.06771

208.6

[M+H-H2O]+

444.10181

196.2

[M+HCOO]-

506.10275

220.9

[M+CH3COO]-

520.11840

231.1

[M+Na-2H]-

482.07922

210.6

[M]+

461.10400

210.9

[M]-

461.10510

210.9

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Piroxicam cinnamate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe