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
2
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]+ 427.295516 213.8
[M+Na]+ 449.277458 214.6
[M-H]- 425.280964 219.4
[M+NH4]+ 444.322063 222.9
[M+K]+ 465.251398 205.7
[M+H-H2O]+ 409.285500 207.2
[M+HCOO]- 471.286441 237.5
[M+CH3COO]- 485.302091 230.6
[M+Na-2H]- 447.262906 215.5
[M]+ 426.28769142 218.8
[M]- 426.28878858 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

literature stripe

Patent stripe

patents stripe