CID 106462

68052-07-3

Structural Information

Molecular Formula
C14H22N2O4
SMILES
CCN(CC)C1=CC(=C(C=C1OCC)[N+](=O)[O-])OCC
InChI
InChI=1S/C14H22N2O4/c1-5-15(6-2)11-9-14(20-8-4)12(16(17)18)10-13(11)19-7-3/h9-10H,5-8H2,1-4H3
InChIKey
WQOIVYJIJVSNFM-UHFFFAOYSA-N
Compound name
2,5-diethoxy-N,N-diethyl-4-nitroaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.15796 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.16524 164.9
[M+Na]+ 305.14718 176.5
[M+NH4]+ 300.19178 171.6
[M+K]+ 321.12112 173.3
[M-H]- 281.15068 168.2
[M+Na-2H]- 303.13263 169.5
[M]+ 282.15741 167.3
[M]- 282.15851 167.3
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.