CID 689064

99246-63-6

Structural Information

Molecular Formula
C18H16O4
SMILES
CC1=C(OC2=C1C(=CC(=C2)OC)OC)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H16O4/c1-11-16-14(21-3)9-13(20-2)10-15(16)22-18(11)17(19)12-7-5-4-6-8-12/h4-10H,1-3H3
InChIKey
QLDFAKUGHBXLGN-UHFFFAOYSA-N
Compound name
(4,6-dimethoxy-3-methyl-1-benzofuran-2-yl)-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.10486 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.11214 165.5
[M+Na]+ 319.09408 181.2
[M+NH4]+ 314.13868 173.8
[M+K]+ 335.06802 176.1
[M-H]- 295.09758 171.1
[M+Na-2H]- 317.07953 173.0
[M]+ 296.10431 169.5
[M]- 296.10541 169.5
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.