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]+ 329.174726 179.7
[M+Na]+ 351.156668 183.9
[M-H]- 327.160174 182.9
[M+NH4]+ 346.201273 191.8
[M+K]+ 367.130608 179.8
[M+H-H2O]+ 311.164710 171.5
[M+HCOO]- 373.165651 197.9
[M+CH3COO]- 387.181301 206.4
[M+Na-2H]- 349.142116 179.7
[M]+ 328.16690142 181.6
[M]- 328.16799858 181.6
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