CID 24843439

Brn 4567069

Structural Information

Molecular Formula
C17H22N2O5
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OC(C)C(=O)OCC)/C
InChI
InChI=1S/C17H22N2O5/c1-5-19-14-9-13(7-8-15(14)23-10-16(19)20)11(3)18-24-12(4)17(21)22-6-2/h7-9,12H,5-6,10H2,1-4H3/b18-11-
InChIKey
DAIMSYDEJRJHOR-WQRHYEAKSA-N
Compound name
ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.15286 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.16014 177.9
[M+Na]+ 357.14208 183.3
[M-H]- 333.14558 182.3
[M+NH4]+ 352.18668 190.2
[M+K]+ 373.11602 183.5
[M+H-H2O]+ 317.15012 169.4
[M+HCOO]- 379.15106 195.6
[M+CH3COO]- 393.16671 216.8
[M+Na-2H]- 355.12753 179.5
[M]+ 334.15231 183.0
[M]- 334.15341 183.0
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.