CID 360308

Ethyl 3-methyl-4h-1,4-benzothiazine-2-carboxylate

Structural Information

Molecular Formula
C12H13NO2S
SMILES
CCOC(=O)C1=C(NC2=CC=CC=C2S1)C
InChI
InChI=1S/C12H13NO2S/c1-3-15-12(14)11-8(2)13-9-6-4-5-7-10(9)16-11/h4-7,13H,3H2,1-2H3
InChIKey
NCZIRXVLKKERGP-UHFFFAOYSA-N
Compound name
ethyl 3-methyl-4H-1,4-benzothiazine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

235.0667 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.07398 150.2
[M+Na]+ 258.05592 162.8
[M+NH4]+ 253.10052 158.9
[M+K]+ 274.02986 154.4
[M-H]- 234.05942 152.0
[M+Na-2H]- 256.04137 155.3
[M]+ 235.06615 153.0
[M]- 235.06725 153.0
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.