CID 106468

Einecs 268-305-3

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 167.5
[M+Na]+ 319.12642 173.3
[M-H]- 295.12992 172.5
[M+NH4]+ 314.17102 182.6
[M+K]+ 335.10036 169.4
[M+H-H2O]+ 279.13446 164.7
[M+HCOO]- 341.13540 192.8
[M+CH3COO]- 355.15105 204.7
[M+Na-2H]- 317.11187 170.7
[M]+ 296.13665 172.3
[M]- 296.13775 172.3
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

No patent data available for this compound.