CID 2762958

4'-o-methyldavidigenin

Structural Information

Molecular Formula
C16H16O4
SMILES
COC1=CC(=C(C=C1)C(=O)CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C16H16O4/c1-20-13-7-8-14(16(19)10-13)15(18)9-4-11-2-5-12(17)6-3-11/h2-3,5-8,10,17,19H,4,9H2,1H3
InChIKey
MEZSKKITJGNMJJ-UHFFFAOYSA-N
Compound name
1-(2-hydroxy-4-methoxyphenyl)-3-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

31
Patents

272.10486 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.11214 160.9
[M+Na]+ 295.09408 168.2
[M-H]- 271.09758 165.3
[M+NH4]+ 290.13868 175.8
[M+K]+ 311.06802 164.5
[M+H-H2O]+ 255.10212 153.7
[M+HCOO]- 317.10306 181.6
[M+CH3COO]- 331.11871 194.8
[M+Na-2H]- 293.07953 163.6
[M]+ 272.10431 162.5
[M]- 272.10541 162.5
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