CID 39513

4,7-dimethoxy-2,3-dimethyl-6-hexadecanoylbenzofuran

Structural Information

Molecular Formula
C28H44O4
SMILES
CCCCCCCCCCCCCCCC(=O)C1=CC(=C2C(=C(OC2=C1OC)C)C)OC
InChI
InChI=1S/C28H44O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-24(29)23-20-25(30-4)26-21(2)22(3)32-28(26)27(23)31-5/h20H,6-19H2,1-5H3
InChIKey
QNHQHTBAPCYVPH-UHFFFAOYSA-N
Compound name
1-(4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-yl)hexadecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.32397 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.33125 216.3
[M+Na]+ 467.31319 227.2
[M+NH4]+ 462.35779 221.5
[M+K]+ 483.28713 220.3
[M-H]- 443.31669 218.5
[M+Na-2H]- 465.29864 216.6
[M]+ 444.32342 218.5
[M]- 444.32452 218.5
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.