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 227.4
[M+Na]+ 513.18249 230.6
[M-H]- 489.18599 240.6
[M+NH4]+ 508.22709 231.8
[M+K]+ 529.15643 220.8
[M+H-H2O]+ 473.19053 213.4
[M+HCOO]- 535.19147 245.8
[M+CH3COO]- 549.20712 233.5
[M+Na-2H]- 511.16794 225.5
[M]+ 490.19272 224.3
[M]- 490.19382 224.3
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.