CID 66571

4-(2,5-diethoxy-4-nitrophenyl)morpholine

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCOC1=CC(=C(C=C1N2CCOCC2)OCC)[N+](=O)[O-]
InChI
InChI=1S/C14H20N2O5/c1-3-20-13-10-12(16(17)18)14(21-4-2)9-11(13)15-5-7-19-8-6-15/h9-10H,3-8H2,1-2H3
InChIKey
KNHGNICBXADRMC-UHFFFAOYSA-N
Compound name
4-(2,5-diethoxy-4-nitrophenyl)morpholine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

15
Patents

296.1372 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14448 166.3
[M+Na]+ 319.12642 178.8
[M+NH4]+ 314.17102 172.8
[M+K]+ 335.10036 175.9
[M-H]- 295.12992 171.4
[M+Na-2H]- 317.11187 171.1
[M]+ 296.13665 169.3
[M]- 296.13775 169.3
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

patents stripe