CID 39512

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

Structural Information

Molecular Formula
C26H40O4
SMILES
CCCCCCCCCCCCCC(=O)C1=CC(=C2C(=C(OC2=C1OC)C)C)OC
InChI
InChI=1S/C26H40O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-22(27)21-18-23(28-4)24-19(2)20(3)30-26(24)25(21)29-5/h18H,6-17H2,1-5H3
InChIKey
CCXOSSBJQFNVGJ-UHFFFAOYSA-N
Compound name
1-(4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-yl)tetradecan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.29266 Da
Monoisotopic Mass

9.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.29994 210.0
[M+Na]+ 439.28188 216.6
[M-H]- 415.28538 214.5
[M+NH4]+ 434.32648 223.0
[M+K]+ 455.25582 213.0
[M+H-H2O]+ 399.28992 202.5
[M+HCOO]- 461.29086 229.7
[M+CH3COO]- 475.30651 233.1
[M+Na-2H]- 437.26733 206.9
[M]+ 416.29211 223.7
[M]- 416.29321 223.7
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.