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

0
Patents

354.14673 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.154006 184.3
[M+Na]+ 377.135948 194.0
[M-H]- 353.139454 195.5
[M+NH4]+ 372.180553 199.6
[M+K]+ 393.109888 193.2
[M+H-H2O]+ 337.143990 179.6
[M+HCOO]- 399.144931 202.6
[M+CH3COO]- 413.160581 196.7
[M+Na-2H]- 375.121396 185.0
[M]+ 354.14618142 192.6
[M]- 354.14727858 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