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

12
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 168.2
[M+Na]+ 319.12642 172.6
[M-H]- 295.12992 173.6
[M+NH4]+ 314.17102 179.7
[M+K]+ 335.10036 168.0
[M+H-H2O]+ 279.13446 163.8
[M+HCOO]- 341.13540 187.6
[M+CH3COO]- 355.15105 197.1
[M+Na-2H]- 317.11187 173.6
[M]+ 296.13665 168.2
[M]- 296.13775 168.2
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