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]+ 283.165236 166.3
[M+Na]+ 305.147178 172.1
[M-H]- 281.150684 171.2
[M+NH4]+ 300.191783 182.2
[M+K]+ 321.121118 167.7
[M+H-H2O]+ 265.155220 163.5
[M+HCOO]- 327.156161 192.1
[M+CH3COO]- 341.171811 203.6
[M+Na-2H]- 303.132626 170.3
[M]+ 282.15741142 171.2
[M]- 282.15850858 171.2
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

No patent data available for this compound.