CID 45783180

100667-52-5

Structural Information

Molecular Formula
C19H20O2
SMILES
C1=CC=C(C=C1)CCC(=O)/C=C/CCC2=CC=C(C=C2)O
InChI
InChI=1S/C19H20O2/c20-18(13-10-16-6-2-1-3-7-16)9-5-4-8-17-11-14-19(21)15-12-17/h1-3,5-7,9,11-12,14-15,21H,4,8,10,13H2/b9-5+
InChIKey
VPCHZECKYCDVSA-WEVVVXLNSA-N
Compound name
(E)-7-(4-hydroxyphenyl)-1-phenylhept-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

280.14633 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.15361 168.9
[M+Na]+ 303.13555 182.6
[M+NH4]+ 298.18015 176.6
[M+K]+ 319.10949 173.7
[M-H]- 279.13905 172.8
[M+Na-2H]- 301.12100 177.1
[M]+ 280.14578 171.9
[M]- 280.14688 171.9
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