CID 699501

188614-01-9

Structural Information

Molecular Formula
C10H9NO3S
SMILES
COC(=O)C1=CC2=C(C=C1)SCC(=O)N2
InChI
InChI=1S/C10H9NO3S/c1-14-10(13)6-2-3-8-7(4-6)11-9(12)5-15-8/h2-4H,5H2,1H3,(H,11,12)
InChIKey
UFSVRHNRNVVBJR-UHFFFAOYSA-N
Compound name
methyl 3-oxo-4H-1,4-benzothiazine-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

91
Patents

223.03032 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.037596 144.1
[M+Na]+ 246.019538 152.1
[M-H]- 222.023044 145.9
[M+NH4]+ 241.064143 162.0
[M+K]+ 261.993478 148.6
[M+H-H2O]+ 206.027580 138.1
[M+HCOO]- 268.028521 157.4
[M+CH3COO]- 282.044171 183.3
[M+Na-2H]- 244.004986 147.5
[M]+ 223.02977142 144.4
[M]- 223.03086858 144.4
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