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]+ 443.24281 209.7
[M+Na]+ 465.22475 213.8
[M-H]- 441.22825 215.2
[M+NH4]+ 460.26935 218.7
[M+K]+ 481.19869 211.1
[M+H-H2O]+ 425.23279 199.6
[M+HCOO]- 487.23373 229.3
[M+CH3COO]- 501.24938 234.6
[M+Na-2H]- 463.21020 206.4
[M]+ 442.23498 220.3
[M]- 442.23608 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.