CID 54750414

5'-carboxy meloxicam

Structural Information

Molecular Formula
C14H11N3O6S2
SMILES
CN1C(=C(C2=CC=CC=C2S1(=O)=O)O)C(=O)NC3=NC=C(S3)C(=O)O
InChI
InChI=1S/C14H11N3O6S2/c1-17-10(12(19)16-14-15-6-8(24-14)13(20)21)11(18)7-4-2-3-5-9(7)25(17,22)23/h2-6,18H,1H3,(H,20,21)(H,15,16,19)
InChIKey
MTQQFYLGAZXHTB-UHFFFAOYSA-N
Compound name
2-[(4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carbonyl)amino]-1,3-thiazole-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

381.00894 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.01622 178.0
[M+Na]+ 403.99816 187.2
[M-H]- 380.00166 180.8
[M+NH4]+ 399.04276 190.8
[M+K]+ 419.97210 182.1
[M+H-H2O]+ 364.00620 172.9
[M+HCOO]- 426.00714 186.1
[M+CH3COO]- 440.02279 210.7
[M+Na-2H]- 401.98361 179.9
[M]+ 381.00839 182.6
[M]- 381.00949 182.6
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

No patent data available for this compound.