CID 2176

Ampiroxicam

Structural Information

Molecular Formula
C20H21N3O7S
SMILES
CCOC(=O)OC(C)OC1=C(N(S(=O)(=O)C2=CC=CC=C21)C)C(=O)NC3=CC=CC=N3
InChI
InChI=1S/C20H21N3O7S/c1-4-28-20(25)30-13(2)29-18-14-9-5-6-10-15(14)31(26,27)23(3)17(18)19(24)22-16-11-7-8-12-21-16/h5-13H,4H2,1-3H3,(H,21,22,24)
InChIKey
LSNWBKACGXCGAJ-UHFFFAOYSA-N
Compound name
ethyl 1-[[2-methyl-1,1-dioxo-3-(pyridin-2-ylcarbamoyl)-1lambda6,2-benzothiazin-4-yl]oxy]ethyl carbonate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

32
References

6688
Patents

447.11002 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.11730 198.6
[M+Na]+ 470.09924 204.9
[M-H]- 446.10274 203.2
[M+NH4]+ 465.14384 207.3
[M+K]+ 486.07318 202.9
[M+H-H2O]+ 430.10728 189.3
[M+HCOO]- 492.10822 211.3
[M+CH3COO]- 506.12387 229.1
[M+Na-2H]- 468.08469 201.3
[M]+ 447.10947 206.6
[M]- 447.11057 206.6
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