CID 689039

1-(2-hydroxy-4,6-dimethoxyphenyl)-2-(4-methoxyphenyl)ethanone

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 167.4
[M+Na]+ 325.10464 175.4
[M-H]- 301.10814 173.4
[M+NH4]+ 320.14924 182.0
[M+K]+ 341.07858 173.2
[M+H-H2O]+ 285.11268 159.6
[M+HCOO]- 347.11362 189.4
[M+CH3COO]- 361.12927 203.6
[M+Na-2H]- 323.09009 169.5
[M]+ 302.11487 173.1
[M]- 302.11597 173.1
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.