CID 6072691

3,3''-(1,4-phenylene)bis(4'-phenylacrylophenone)

Structural Information

Molecular Formula
C36H26O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)/C=C/C3=CC=C(C=C3)/C=C/C(=O)C4=CC=C(C=C4)C5=CC=CC=C5
InChI
InChI=1S/C36H26O2/c37-35(33-21-17-31(18-22-33)29-7-3-1-4-8-29)25-15-27-11-13-28(14-12-27)16-26-36(38)34-23-19-32(20-24-34)30-9-5-2-6-10-30/h1-26H/b25-15+,26-16+
InChIKey
POLJGOBPSXMVPV-RYQLWAFASA-N
Compound name
(E)-3-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenyl]-1-(4-phenylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

490.19327 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 491.20055 226.9
[M+Na]+ 513.18249 246.3
[M+NH4]+ 508.22709 234.6
[M+K]+ 529.15643 232.9
[M-H]- 489.18599 238.3
[M+Na-2H]- 511.16794 241.7
[M]+ 490.19272 233.3
[M]- 490.19382 233.3
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.