CID 24843435

Brn 4556073

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CCOC(=O)C(C)O/N=C(/C)\C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C16H20N2O5/c1-5-21-16(20)11(3)23-17-10(2)12-6-7-14-13(8-12)18(4)15(19)9-22-14/h6-8,11H,5,9H2,1-4H3/b17-10-
InChIKey
YTQIZXTYSMEWCP-YVLHZVERSA-N
Compound name
ethyl 2-[(Z)-1-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.14448 172.8
[M+Na]+ 343.12642 182.7
[M+NH4]+ 338.17102 177.9
[M+K]+ 359.10036 179.0
[M-H]- 319.12992 174.2
[M+Na-2H]- 341.11187 174.6
[M]+ 320.13665 174.2
[M]- 320.13775 174.2
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.