CID 71350455

Dtxsid80776256

Structural Information

Molecular Formula
C20H20O3
SMILES
CC=CC1=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
InChIKey
HKMQKWZDPMJSBO-UHFFFAOYSA-N
Compound name
2-(3,4-dimethoxyphenyl)-3-methyl-5-prop-1-enyl-1-benzofuran
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
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 172.5
[M+Na]+ 331.13046 183.8
[M-H]- 307.13396 182.2
[M+NH4]+ 326.17506 189.9
[M+K]+ 347.10440 180.0
[M+H-H2O]+ 291.13850 165.5
[M+HCOO]- 353.13944 196.7
[M+CH3COO]- 367.15509 207.8
[M+Na-2H]- 329.11591 175.9
[M]+ 308.14069 180.7
[M]- 308.14179 180.7
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.