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]+ 361.237346 190.9
[M+Na]+ 383.219288 199.3
[M-H]- 359.222794 196.3
[M+NH4]+ 378.263893 206.4
[M+K]+ 399.193228 196.7
[M+H-H2O]+ 343.227330 184.3
[M+HCOO]- 405.228271 212.1
[M+CH3COO]- 419.243921 221.4
[M+Na-2H]- 381.204736 190.1
[M]+ 360.22952142 203.4
[M]- 360.23061858 203.4
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.