CID 689039

39604-68-7

Structural Information

Molecular Formula
C17H18O5
SMILES
COC1=CC=C(C=C1)CC(=O)C2=C(C=C(C=C2OC)OC)O
InChI
InChI=1S/C17H18O5/c1-20-12-6-4-11(5-7-12)8-14(18)17-15(19)9-13(21-2)10-16(17)22-3/h4-7,9-10,19H,8H2,1-3H3
InChIKey
ROJOJPXRGHLGTC-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.11542 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12270 168.7
[M+Na]+ 325.10464 182.3
[M+NH4]+ 320.14924 175.2
[M+K]+ 341.07858 176.3
[M-H]- 301.10814 171.5
[M+Na-2H]- 323.09009 175.5
[M]+ 302.11487 171.4
[M]- 302.11597 171.4
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

No patent data available for this compound.