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]+ 303.122696 167.4
[M+Na]+ 325.104638 175.4
[M-H]- 301.108144 173.4
[M+NH4]+ 320.149243 182.0
[M+K]+ 341.078578 173.2
[M+H-H2O]+ 285.112680 159.6
[M+HCOO]- 347.113621 189.4
[M+CH3COO]- 361.129271 203.6
[M+Na-2H]- 323.090086 169.5
[M]+ 302.11487142 173.1
[M]- 302.11596858 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.