CID 39514

49710-87-4

Structural Information

Molecular Formula
C20H20O5
SMILES
CC1=C(OC2=C(C(=CC(=C12)OC)C(=O)C3=CC=CC=C3OC)OC)C
InChI
InChI=1S/C20H20O5/c1-11-12(2)25-20-17(11)16(23-4)10-14(19(20)24-5)18(21)13-8-6-7-9-15(13)22-3/h6-10H,1-5H3
InChIKey
OQRVWBDKIKNKDG-UHFFFAOYSA-N
Compound name
(4,7-dimethoxy-2,3-dimethyl-1-benzofuran-6-yl)-(2-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.13107 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13835 178.0
[M+Na]+ 363.12029 189.3
[M-H]- 339.12379 188.1
[M+NH4]+ 358.16489 194.0
[M+K]+ 379.09423 187.6
[M+H-H2O]+ 323.12833 171.0
[M+HCOO]- 385.12927 201.5
[M+CH3COO]- 399.14492 214.9
[M+Na-2H]- 361.10574 179.9
[M]+ 340.13052 189.0
[M]- 340.13162 189.0
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.