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]+ 341.138346 178.0
[M+Na]+ 363.120288 189.3
[M-H]- 339.123794 188.1
[M+NH4]+ 358.164893 194.0
[M+K]+ 379.094228 187.6
[M+H-H2O]+ 323.128330 171.0
[M+HCOO]- 385.129271 201.5
[M+CH3COO]- 399.144921 214.9
[M+Na-2H]- 361.105736 179.9
[M]+ 340.13052142 189.0
[M]- 340.13161858 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.