CID 44154258

91119-63-0

Structural Information

Molecular Formula
C16H20N2O5
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OCC(=O)OCC)/C
InChI
InChI=1S/C16H20N2O5/c1-4-18-13-8-12(6-7-14(13)22-9-15(18)19)11(3)17-23-10-16(20)21-5-2/h6-8H,4-5,9-10H2,1-3H3/b17-11-
InChIKey
REKCXGSRVFVGIW-BOPFTXTBSA-N
Compound name
ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxyacetate
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]+ 321.144476 173.3
[M+Na]+ 343.126418 179.4
[M-H]- 319.129924 177.8
[M+NH4]+ 338.171023 186.3
[M+K]+ 359.100358 179.2
[M+H-H2O]+ 303.134460 164.8
[M+HCOO]- 365.135401 192.3
[M+CH3COO]- 379.151051 212.8
[M+Na-2H]- 341.111866 176.5
[M]+ 320.13665142 178.7
[M]- 320.13774858 178.7
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.