CID 24843433

Brn 4556074

Structural Information

Molecular Formula
C16H20N2O4S
SMILES
CCOC(=O)C(C)O/N=C(\C)/C1=CC2=C(C=C1)SCC(=O)N2C
InChI
InChI=1S/C16H20N2O4S/c1-5-21-16(20)11(3)22-17-10(2)12-6-7-14-13(8-12)18(4)15(19)9-23-14/h6-8,11H,5,9H2,1-4H3/b17-10+
InChIKey
HMXRSIVQOFKCKQ-LICLKQGHSA-N
Compound name
ethyl 2-[(E)-1-(4-methyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.11438 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.12166 176.2
[M+Na]+ 359.10360 185.4
[M+NH4]+ 354.14820 182.2
[M+K]+ 375.07754 178.9
[M-H]- 335.10710 176.9
[M+Na-2H]- 357.08905 178.5
[M]+ 336.11383 177.8
[M]- 336.11493 177.8
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.