CID 44594137

Chembl2059388

Structural Information

Molecular Formula
C22H18O3
SMILES
C1=CC(=CC=C1/C=C/C2=CC(=CC(=C2)O)/C=C/C3=CC=C(C=C3)O)O
InChI
InChI=1S/C22H18O3/c23-20-9-5-16(6-10-20)1-3-18-13-19(15-22(25)14-18)4-2-17-7-11-21(24)12-8-17/h1-15,23-25H/b3-1+,4-2+
InChIKey
ICUPUOLNNGGWKO-ZPUQHVIOSA-N
Compound name
3,5-bis[(E)-2-(4-hydroxyphenyl)ethenyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

330.12558 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.13286 181.5
[M+Na]+ 353.11480 197.4
[M+NH4]+ 348.15940 188.7
[M+K]+ 369.08874 188.2
[M-H]- 329.11830 187.0
[M+Na-2H]- 351.10025 190.9
[M]+ 330.12503 185.4
[M]- 330.12613 185.4
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