CID 24832475

Brn 4566056

Structural Information

Molecular Formula
C16H20N2O4S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N\OCC(=O)OCC)/C
InChI
InChI=1S/C16H20N2O4S/c1-4-18-13-8-12(6-7-14(13)23-10-15(18)19)11(3)17-22-9-16(20)21-5-2/h6-8H,4-5,9-10H2,1-3H3/b17-11-
InChIKey
XMCUZCVTCGPTIO-BOPFTXTBSA-N
Compound name
ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11438 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12166 176.8
[M+Na]+ 359.10360 186.4
[M+NH4]+ 354.14820 183.0
[M+K]+ 375.07754 179.1
[M-H]- 335.10710 177.7
[M+Na-2H]- 357.08905 179.4
[M]+ 336.11383 178.6
[M]- 336.11493 178.6
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.