CID 82771

4-butyl-4'-methoxyazoxybenzene

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCCCC1=CC=C(C=C1)[N+](=NC2=CC=C(C=C2)OC)[O-]
InChI
InChI=1S/C17H20N2O2/c1-3-4-5-14-6-10-16(11-7-14)19(20)18-15-8-12-17(21-2)13-9-15/h6-13H,3-5H2,1-2H3
InChIKey
LWPWICQRCLMVST-UHFFFAOYSA-N
Compound name
(4-butylphenyl)-(4-methoxyphenyl)imino-oxidoazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

284.15247 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 168.1
[M+Na]+ 307.141688 173.3
[M-H]- 283.145194 175.7
[M+NH4]+ 302.186293 183.3
[M+K]+ 323.115628 165.9
[M+H-H2O]+ 267.149730 163.9
[M+HCOO]- 329.150671 194.9
[M+CH3COO]- 343.166321 201.8
[M+Na-2H]- 305.127136 174.6
[M]+ 284.15192142 168.9
[M]- 284.15301858 168.9
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