CID 9570866

Brn 4547175

Structural Information

Molecular Formula
C14H16N2O4S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OCC(=O)O)/C
InChI
InChI=1S/C14H16N2O4S/c1-3-16-11-6-10(9(2)15-20-7-14(18)19)4-5-12(11)21-8-13(16)17/h4-6H,3,7-8H2,1-2H3,(H,18,19)/b15-9+
InChIKey
KVOULULFQJJOAC-OQLLNIDSSA-N
Compound name
2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.08307 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.09035 168.2
[M+Na]+ 331.07229 177.6
[M+NH4]+ 326.11689 174.3
[M+K]+ 347.04623 171.1
[M-H]- 307.07579 168.6
[M+Na-2H]- 329.05774 170.7
[M]+ 308.08252 169.7
[M]- 308.08362 169.7
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.