CID 39300

6-decanoyl-4,7-dimethoxy-2,3-dimethylbenzofuran

Structural Information

Molecular Formula
C22H32O4
SMILES
CCCCCCCCCC(=O)C1=CC(=C2C(=C(OC2=C1OC)C)C)OC
InChI
InChI=1S/C22H32O4/c1-6-7-8-9-10-11-12-13-18(23)17-14-19(24-4)20-15(2)16(3)26-22(20)21(17)25-5/h14H,6-13H2,1-5H3
InChIKey
DRFPRMRMLQZHEO-UHFFFAOYSA-N
Compound name
1-(4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-yl)decan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.23007 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.23735 189.2
[M+Na]+ 383.21929 201.4
[M+NH4]+ 378.26389 195.5
[M+K]+ 399.19323 195.9
[M-H]- 359.22279 191.7
[M+Na-2H]- 381.20474 191.1
[M]+ 360.22952 191.7
[M]- 360.23062 191.7
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.