CID 106468

N-(2,5-diethoxy-4-nitrophenyl)-n-ethylacetamide

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
2
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]+ 297.144476 167.5
[M+Na]+ 319.126418 173.3
[M-H]- 295.129924 172.5
[M+NH4]+ 314.171023 182.6
[M+K]+ 335.100358 169.4
[M+H-H2O]+ 279.134460 164.7
[M+HCOO]- 341.135401 192.8
[M+CH3COO]- 355.151051 204.7
[M+Na-2H]- 317.111866 170.7
[M]+ 296.13665142 172.3
[M]- 296.13774858 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.