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 166.3
[M+Na]+ 305.14718 172.1
[M-H]- 281.15068 171.2
[M+NH4]+ 300.19178 182.2
[M+K]+ 321.12112 167.7
[M+H-H2O]+ 265.15522 163.5
[M+HCOO]- 327.15616 192.1
[M+CH3COO]- 341.17181 203.6
[M+Na-2H]- 303.13263 170.3
[M]+ 282.15741 171.2
[M]- 282.15851 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.