CID 75832

4,4'-bis(heptyloxy)azoxybenzene

Structural Information

Molecular Formula
C26H38N2O3
SMILES
CCCCCCCOC1=CC=C(C=C1)N=[N+](C2=CC=C(C=C2)OCCCCCCC)[O-]
InChI
InChI=1S/C26H38N2O3/c1-3-5-7-9-11-21-30-25-17-13-23(14-18-25)27-28(29)24-15-19-26(20-16-24)31-22-12-10-8-6-4-2/h13-20H,3-12,21-22H2,1-2H3
InChIKey
RFRFUCJJSRXPEE-UHFFFAOYSA-N
Compound name
(4-heptoxyphenyl)-(4-heptoxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

426.28824 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.29552 213.8
[M+Na]+ 449.27746 214.6
[M-H]- 425.28096 219.4
[M+NH4]+ 444.32206 222.9
[M+K]+ 465.25140 205.7
[M+H-H2O]+ 409.28550 207.2
[M+HCOO]- 471.28644 237.5
[M+CH3COO]- 485.30209 230.6
[M+Na-2H]- 447.26291 215.5
[M]+ 426.28769 218.8
[M]- 426.28879 218.8
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.