CID 71367568

1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxyphenyl)propan-1-one

Structural Information

Molecular Formula
C16H16O5
SMILES
CC(C1=CC=C(C=C1)O)C(=O)C2=CC(=C(C=C2O)O)OC
InChI
InChI=1S/C16H16O5/c1-9(10-3-5-11(17)6-4-10)16(20)12-7-15(21-2)14(19)8-13(12)18/h3-9,17-19H,1-2H3
InChIKey
NAIOQCWMMFVXSV-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxy-5-methoxyphenyl)-2-(4-hydroxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

288.09976 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.107036 163.6
[M+Na]+ 311.088978 170.8
[M-H]- 287.092484 167.0
[M+NH4]+ 306.133583 177.2
[M+K]+ 327.062918 167.7
[M+H-H2O]+ 271.097020 156.7
[M+HCOO]- 333.097961 181.9
[M+CH3COO]- 347.113611 197.0
[M+Na-2H]- 309.074426 164.0
[M]+ 288.09921142 164.6
[M]- 288.10030858 164.6
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