CID 56843924

Brn 4571849

Structural Information

Molecular Formula
C18H24N2O4S
SMILES
CCN1C(=O)CSC2=C1C=C(C=C2)/C(=N/OC(C)(C)C(=O)OCC)/C
InChI
InChI=1S/C18H24N2O4S/c1-6-20-14-10-13(8-9-15(14)25-11-16(20)21)12(3)19-24-18(4,5)17(22)23-7-2/h8-10H,6-7,11H2,1-5H3/b19-12+
InChIKey
ZFAAIPXPLTWYCT-XDHOZWIPSA-N
Compound name
ethyl 2-[(E)-1-(4-ethyl-3-oxo-1,4-benzothiazin-6-yl)ethylideneamino]oxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.1457 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.15298 185.4
[M+Na]+ 387.13492 190.5
[M-H]- 363.13842 188.9
[M+NH4]+ 382.17952 198.5
[M+K]+ 403.10886 188.2
[M+H-H2O]+ 347.14296 177.8
[M+HCOO]- 409.14390 197.7
[M+CH3COO]- 423.15955 220.3
[M+Na-2H]- 385.12037 186.0
[M]+ 364.14515 191.3
[M]- 364.14625 191.3
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.