CID 5318278

79559-60-7

Structural Information

Molecular Formula
C20H22O3
SMILES
COC1=C(C=CC(=C1)CC/C=C/C(=O)CCC2=CC=CC=C2)O
InChI
InChI=1S/C20H22O3/c1-23-20-15-17(12-14-19(20)22)9-5-6-10-18(21)13-11-16-7-3-2-4-8-16/h2-4,6-8,10,12,14-15,22H,5,9,11,13H2,1H3/b10-6+
InChIKey
NOHMOWQGVDSLNY-UXBLZVDNSA-N
Compound name
(E)-7-(4-hydroxy-3-methoxyphenyl)-1-phenylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

37
Patents

310.1569 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16418 176.1
[M+Na]+ 333.14612 189.4
[M+NH4]+ 328.19072 183.0
[M+K]+ 349.12006 181.1
[M-H]- 309.14962 179.4
[M+Na-2H]- 331.13157 183.3
[M]+ 310.15635 178.9
[M]- 310.15745 178.9
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