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 149.4
[M+Na]+ 258.05592 157.4
[M-H]- 234.05942 151.2
[M+NH4]+ 253.10052 167.1
[M+K]+ 274.02986 153.3
[M+H-H2O]+ 218.06396 143.1
[M+HCOO]- 280.06490 163.1
[M+CH3COO]- 294.08055 187.6
[M+Na-2H]- 256.04137 152.6
[M]+ 235.06615 151.0
[M]- 235.06725 151.0
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.