CID 131751072

2,3-dihydro-7-methoxy-2-(3-methoxy-4,5-methylenedioxyphenyl)-3-methyl-5-(1-propenyl)benzofuran

Structural Information

Molecular Formula
C21H22O5
SMILES
C/C=C\C1=CC2=C(C(=C1)OC)OC(C2C)C3=CC4=C(C(=C3)OC)OCO4
InChI
InChI=1S/C21H22O5/c1-5-6-13-7-15-12(2)19(26-20(15)16(8-13)22-3)14-9-17(23-4)21-18(10-14)24-11-25-21/h5-10,12,19H,11H2,1-4H3/b6-5-
InChIKey
UIWUAELYQAENKN-WAYWQWQTSA-N
Compound name
4-methoxy-6-[7-methoxy-3-methyl-5-[(Z)-prop-1-enyl]-2,3-dihydro-1-benzofuran-2-yl]-1,3-benzodioxole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

354.14673 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.15401 184.3
[M+Na]+ 377.13595 194.0
[M-H]- 353.13945 195.5
[M+NH4]+ 372.18055 199.6
[M+K]+ 393.10989 193.2
[M+H-H2O]+ 337.14399 179.6
[M+HCOO]- 399.14493 202.6
[M+CH3COO]- 413.16058 196.7
[M+Na-2H]- 375.12140 185.0
[M]+ 354.14618 192.6
[M]- 354.14728 192.6
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

patents stripe