CID 9570866

Acetic acid, (((1-(4-ethyl-3,4-dihydro-3-oxo-2h-1,4-benzothiazin-6-yl)ethylidene)amino)oxy)-

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]+ 309.090346 167.0
[M+Na]+ 331.072288 173.1
[M-H]- 307.075794 169.5
[M+NH4]+ 326.116893 181.5
[M+K]+ 347.046228 170.1
[M+H-H2O]+ 291.080330 159.7
[M+HCOO]- 353.081271 180.6
[M+CH3COO]- 367.096921 206.3
[M+Na-2H]- 329.057736 167.9
[M]+ 308.08252142 170.2
[M]- 308.08361858 170.2
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.