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 190.9
[M+Na]+ 383.21929 199.3
[M-H]- 359.22279 196.3
[M+NH4]+ 378.26389 206.4
[M+K]+ 399.19323 196.7
[M+H-H2O]+ 343.22733 184.3
[M+HCOO]- 405.22827 212.1
[M+CH3COO]- 419.24392 221.4
[M+Na-2H]- 381.20474 190.1
[M]+ 360.22952 203.4
[M]- 360.23062 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.