CID 54678723

24683-21-4

Structural Information

Molecular Formula
C11H11NO5S
SMILES
CCOC(=O)C1=C(C2=CC=CC=C2S(=O)(=O)N1)O
InChI
InChI=1S/C11H11NO5S/c1-2-17-11(14)9-10(13)7-5-3-4-6-8(7)18(15,16)12-9/h3-6,12-13H,2H2,1H3
InChIKey
KHQMRIBGVBXDMI-UHFFFAOYSA-N
Compound name
ethyl 4-hydroxy-1,1-dioxo-2H-1lambda6,2-benzothiazine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

9
Patents

269.0358 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.04308 153.0
[M+Na]+ 292.02502 162.5
[M-H]- 268.02852 154.0
[M+NH4]+ 287.06962 170.4
[M+K]+ 307.99896 158.8
[M+H-H2O]+ 252.03306 147.7
[M+HCOO]- 314.03400 166.3
[M+CH3COO]- 328.04965 188.2
[M+Na-2H]- 290.01047 157.6
[M]+ 269.03525 156.2
[M]- 269.03635 156.2
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