CID 5319454

83161-95-9

Structural Information

Molecular Formula
C21H26O4
SMILES
COC1=C(C=CC(=C1)CCC(CC(=O)CCC2=CC=CC=C2)OC)O
InChI
InChI=1S/C21H26O4/c1-24-19(12-9-17-10-13-20(23)21(14-17)25-2)15-18(22)11-8-16-6-4-3-5-7-16/h3-7,10,13-14,19,23H,8-9,11-12,15H2,1-2H3
InChIKey
XYIISUAVSYEQLI-UHFFFAOYSA-N
Compound name
7-(4-hydroxy-3-methoxyphenyl)-5-methoxy-1-phenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

342.1831 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.19038 184.0
[M+Na]+ 365.17232 196.1
[M+NH4]+ 360.21692 190.2
[M+K]+ 381.14626 189.1
[M-H]- 341.17582 186.8
[M+Na-2H]- 363.15777 190.2
[M]+ 342.18255 186.4
[M]- 342.18365 186.4
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