CID 24843437

Brn 4567070

Structural Information

Molecular Formula
C17H22N2O4S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N\OC(C)C(=O)OCC)/C
InChI
InChI=1S/C17H22N2O4S/c1-5-19-14-9-13(7-8-15(14)24-10-16(19)20)11(3)18-23-12(4)17(21)22-6-2/h7-9,12H,5-6,10H2,1-4H3/b18-11-
InChIKey
LZPMSQILLJJADI-WQRHYEAKSA-N
Compound name
ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.13004 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.13732 180.4
[M+Na]+ 373.11926 189.4
[M+NH4]+ 368.16386 186.3
[M+K]+ 389.09320 182.7
[M-H]- 349.12276 181.0
[M+Na-2H]- 371.10471 182.5
[M]+ 350.12949 182.0
[M]- 350.13059 182.0
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.