CID 13428502

Sodium 3,4-dihydro-4-ethyl-2h-1,4-benzothiazine-2-carboxylate

Structural Information

Molecular Formula
C11H13NO2S
SMILES
CCN1CC(SC2=CC=CC=C21)C(=O)O
InChI
InChI=1S/C11H13NO2S/c1-2-12-7-10(11(13)14)15-9-6-4-3-5-8(9)12/h3-6,10H,2,7H2,1H3,(H,13,14)
InChIKey
VELJCRCYVWCEQE-UHFFFAOYSA-N
Compound name
4-ethyl-2,3-dihydro-1,4-benzothiazine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.0667 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.07398 146.8
[M+Na]+ 246.05592 158.7
[M+NH4]+ 241.10052 155.6
[M+K]+ 262.02986 150.7
[M-H]- 222.05942 148.4
[M+Na-2H]- 244.04137 151.3
[M]+ 223.06615 149.3
[M]- 223.06725 149.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.