CID 78520

4,4'-diethoxyazoxybenzene

Structural Information

Molecular Formula
C16H18N2O3
SMILES
CCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCC)[O-]
InChI
InChI=1S/C16H18N2O3/c1-3-20-15-9-5-13(6-10-15)17-18(19)14-7-11-16(12-8-14)21-4-2/h5-12H,3-4H2,1-2H3
InChIKey
QUICZVHSJNKDBL-UHFFFAOYSA-N
Compound name
(4-ethoxyphenyl)-(4-ethoxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

78
Patents

286.13174 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.139016 166.6
[M+Na]+ 309.120958 172.0
[M-H]- 285.124464 174.4
[M+NH4]+ 304.165563 181.6
[M+K]+ 325.094898 165.4
[M+H-H2O]+ 269.129000 162.3
[M+HCOO]- 331.129941 193.9
[M+CH3COO]- 345.145591 200.7
[M+Na-2H]- 307.106406 173.8
[M]+ 286.13119142 168.3
[M]- 286.13228858 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe