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 173.1
[M+Na]+ 343.12642 179.0
[M-H]- 319.12992 177.8
[M+NH4]+ 338.17102 186.1
[M+K]+ 359.10036 179.4
[M+H-H2O]+ 303.13446 164.9
[M+HCOO]- 365.13540 191.2
[M+CH3COO]- 379.15105 213.8
[M+Na-2H]- 341.11187 175.3
[M]+ 320.13665 178.0
[M]- 320.13775 178.0
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.