CID 54679348

24683-26-9

Structural Information

Molecular Formula
C12H13NO5S
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1C)O
InChI
InChI=1S/C12H13NO5S/c1-3-18-12(15)10-11(14)8-6-4-5-7-9(8)19(16,17)13(10)2/h4-7,14H,3H2,1-2H3
InChIKey
QWTNANUGXZEPFQ-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-2-methyl-1,1-dioxo-1lambda6,2-benzothiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

58
Patents

283.05145 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.05873 156.0
[M+Na]+ 306.04067 166.4
[M-H]- 282.04417 158.7
[M+NH4]+ 301.08527 173.8
[M+K]+ 322.01461 163.4
[M+H-H2O]+ 266.04871 150.5
[M+HCOO]- 328.04965 170.5
[M+CH3COO]- 342.06530 194.8
[M+Na-2H]- 304.02612 160.0
[M]+ 283.05090 161.8
[M]- 283.05200 161.8
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