CID 311854

1,10-bis(2,5-dimethoxyphenyl)-1,10-decanedione

Structural Information

Molecular Formula
C26H34O6
SMILES
COC1=CC(=C(C=C1)OC)C(=O)CCCCCCCCC(=O)C2=C(C=CC(=C2)OC)OC
InChI
InChI=1S/C26H34O6/c1-29-19-13-15-25(31-3)21(17-19)23(27)11-9-7-5-6-8-10-12-24(28)22-18-20(30-2)14-16-26(22)32-4/h13-18H,5-12H2,1-4H3
InChIKey
LSXLSJUIRYFZKA-UHFFFAOYSA-N
Compound name
1,10-bis(2,5-dimethoxyphenyl)decane-1,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.23553 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.242806 209.7
[M+Na]+ 465.224748 213.8
[M-H]- 441.228254 215.2
[M+NH4]+ 460.269353 218.7
[M+K]+ 481.198688 211.1
[M+H-H2O]+ 425.232790 199.6
[M+HCOO]- 487.233731 229.3
[M+CH3COO]- 501.249381 234.6
[M+Na-2H]- 463.210196 206.4
[M]+ 442.23498142 220.3
[M]- 442.23607858 220.3
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.