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 175.8
[M+Na]+ 359.10360 181.2
[M-H]- 335.10710 179.5
[M+NH4]+ 354.14820 189.9
[M+K]+ 375.07754 179.3
[M+H-H2O]+ 319.11164 168.1
[M+HCOO]- 381.11258 189.2
[M+CH3COO]- 395.12823 214.9
[M+Na-2H]- 357.08905 175.2
[M]+ 336.11383 180.9
[M]- 336.11493 180.9
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.