CID 458183

2,5-bis(p-butoxyphenyl)-p-quinone

Structural Information

Molecular Formula
C26H28O4
SMILES
CCCCOC1=CC=C(C=C1)C2=CC(=O)C(=CC2=O)C3=CC=C(C=C3)OCCCC
InChI
InChI=1S/C26H28O4/c1-3-5-15-29-21-11-7-19(8-12-21)23-17-26(28)24(18-25(23)27)20-9-13-22(14-10-20)30-16-6-4-2/h7-14,17-18H,3-6,15-16H2,1-2H3
InChIKey
TYWRAWAEQUEGJE-UHFFFAOYSA-N
Compound name
2,5-bis(4-butoxyphenyl)cyclohexa-2,5-diene-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.19876 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.20604 200.3
[M+Na]+ 427.18798 206.5
[M-H]- 403.19148 209.4
[M+NH4]+ 422.23258 210.9
[M+K]+ 443.16192 201.1
[M+H-H2O]+ 387.19602 189.6
[M+HCOO]- 449.19696 221.4
[M+CH3COO]- 463.21261 226.5
[M+Na-2H]- 425.17343 199.7
[M]+ 404.19821 205.4
[M]- 404.19931 205.4
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.