CID 21540063

Fema no. 4764

Structural Information

Molecular Formula
C16H16O5
SMILES
COC1=C(C=C(C=C1)CCC(=O)C2=C(C=C(C=C2)O)O)O
InChI
InChI=1S/C16H16O5/c1-21-16-7-3-10(8-15(16)20)2-6-13(18)12-5-4-11(17)9-14(12)19/h3-5,7-9,17,19-20H,2,6H2,1H3
InChIKey
GCOFCBCRRXZXNC-UHFFFAOYSA-N
Compound name
1-(2,4-dihydroxyphenyl)-3-(3-hydroxy-4-methoxyphenyl)propan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

115
Patents

288.09976 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10704 165.5
[M+Na]+ 311.08898 178.2
[M+NH4]+ 306.13358 171.4
[M+K]+ 327.06292 173.0
[M-H]- 287.09248 167.2
[M+Na-2H]- 309.07443 171.2
[M]+ 288.09921 167.6
[M]- 288.10031 167.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe