CID 169676

1-(2,6-dihydroxy-4-methoxyphenyl)-3-phenylpropan-1-one

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

11
References

30
Patents

272.10486 Da
Monoisotopic Mass

3.3
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