CID 24843440

Brn 4571848

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N\OC(C)(C)C(=O)OCC)/C
InChI
InChI=1S/C18H24N2O5/c1-6-20-14-10-13(8-9-15(14)24-11-16(20)21)12(3)19-25-18(4,5)17(22)23-7-2/h8-10H,6-7,11H2,1-5H3/b19-12-
InChIKey
KHDBEWYEIXPHAP-UNOMPAQXSA-N
Compound name
ethyl 2-[(Z)-1-(4-ethyl-3-oxo-1,4-benzoxazin-6-yl)ethylideneamino]oxy-2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 182.0
[M+Na]+ 371.15774 187.6
[M-H]- 347.16124 186.5
[M+NH4]+ 366.20234 194.0
[M+K]+ 387.13168 187.6
[M+H-H2O]+ 331.16578 174.0
[M+HCOO]- 393.16672 198.8
[M+CH3COO]- 407.18237 219.2
[M+Na-2H]- 369.14319 185.4
[M]+ 348.16797 187.7
[M]- 348.16907 187.7
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.