CID 21625895

Eupomatenoid 4

Structural Information

Molecular Formula
C20H20O3
SMILES
C/C=C/C1=CC2=C(C=C1)OC(=C2C)C3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C20H20O3/c1-5-6-14-7-9-17-16(11-14)13(2)20(23-17)15-8-10-18(21-3)19(12-15)22-4/h5-12H,1-4H3/b6-5+
InChIKey
HKMQKWZDPMJSBO-AATRIKPKSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-methyl-5-[(E)-prop-1-enyl]-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.14124 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14852 171.7
[M+Na]+ 331.13046 188.3
[M+NH4]+ 326.17506 180.4
[M+K]+ 347.10440 181.4
[M-H]- 307.13396 178.0
[M+Na-2H]- 329.11591 179.2
[M]+ 308.14069 176.2
[M]- 308.14179 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.