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]+ 236.073976 149.4
[M+Na]+ 258.055918 157.4
[M-H]- 234.059424 151.2
[M+NH4]+ 253.100523 167.1
[M+K]+ 274.029858 153.3
[M+H-H2O]+ 218.063960 143.1
[M+HCOO]- 280.064901 163.1
[M+CH3COO]- 294.080551 187.6
[M+Na-2H]- 256.041366 152.6
[M]+ 235.06615142 151.0
[M]- 235.06724858 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.