CID 689051

484-33-3

Structural Information

Molecular Formula
C18H14O4
SMILES
COC1=C(C=CC2=C1C=CO2)C(=O)CC(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H14O4/c1-21-18-13(7-8-17-14(18)9-10-22-17)16(20)11-15(19)12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKey
XTLSKKJNOIMMBK-UHFFFAOYSA-N
Compound name
1-(4-methoxy-1-benzofuran-5-yl)-3-phenylpropane-1,3-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

16
References

272
Patents

294.0892 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09648 164.8
[M+Na]+ 317.07842 179.4
[M+NH4]+ 312.12302 172.7
[M+K]+ 333.05236 174.6
[M-H]- 293.08192 169.8
[M+Na-2H]- 315.06387 172.3
[M]+ 294.08865 168.4
[M]- 294.08975 168.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe