CID 5318228

79559-61-8

Structural Information

Molecular Formula
C20H24O4
SMILES
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)O)O
InChI
InChI=1S/C20H24O4/c1-24-20-13-16(9-12-19(20)23)8-11-18(22)14-17(21)10-7-15-5-3-2-4-6-15/h2-6,9,12-13,18,22-23H,7-8,10-11,14H2,1H3
InChIKey
JHJPDDBIHSFERA-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(4-hydroxy-3-methoxyphenyl)-1-phenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

60
Patents

328.16745 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.17473 180.1
[M+Na]+ 351.15667 191.9
[M+NH4]+ 346.20127 186.2
[M+K]+ 367.13061 185.4
[M-H]- 327.16017 182.4
[M+Na-2H]- 349.14212 186.0
[M]+ 328.16690 182.3
[M]- 328.16800 182.3
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