CID 106468

68052-12-0

Structural Information

Molecular Formula
C14H20N2O5
SMILES
CCN(C1=CC(=C(C=C1OCC)[N+](=O)[O-])OCC)C(=O)C
InChI
InChI=1S/C14H20N2O5/c1-5-15(10(4)17)11-8-14(21-7-3)12(16(18)19)9-13(11)20-6-2/h8-9H,5-7H2,1-4H3
InChIKey
UJTFFMKKJCRDAQ-UHFFFAOYSA-N
Compound name
N-(2,5-diethoxy-4-nitrophenyl)-N-ethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 166.6
[M+Na]+ 319.12642 177.4
[M+NH4]+ 314.17102 172.3
[M+K]+ 335.10036 175.5
[M-H]- 295.12992 168.9
[M+Na-2H]- 317.11187 170.3
[M]+ 296.13665 168.4
[M]- 296.13775 168.4
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.