CID 10040339

5-hydroxy-7-(4-hydroxyphenyl)-1-phenyl-3-heptanone

Structural Information

Molecular Formula
C19H22O3
SMILES
C1=CC=C(C=C1)CCC(=O)CC(CCC2=CC=C(C=C2)O)O
InChI
InChI=1S/C19H22O3/c20-17-10-6-16(7-11-17)9-13-19(22)14-18(21)12-8-15-4-2-1-3-5-15/h1-7,10-11,19-20,22H,8-9,12-14H2
InChIKey
UNMNJFPAJOHXMT-UHFFFAOYSA-N
Compound name
5-hydroxy-7-(4-hydroxyphenyl)-1-phenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

298.1569 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.16418 172.5
[M+Na]+ 321.14612 176.4
[M-H]- 297.14962 175.5
[M+NH4]+ 316.19072 185.6
[M+K]+ 337.12006 171.7
[M+H-H2O]+ 281.15416 164.6
[M+HCOO]- 343.15510 190.9
[M+CH3COO]- 357.17075 200.1
[M+Na-2H]- 319.13157 173.7
[M]+ 298.15635 172.2
[M]- 298.15745 172.2
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

No patent data available for this compound.