CID 5367065

3,3''-(1,4-phenylene)diacrylophenone

Structural Information

Molecular Formula
C24H18O2
SMILES
C1=CC=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H18O2/c25-23(21-7-3-1-4-8-21)17-15-19-11-13-20(14-12-19)16-18-24(26)22-9-5-2-6-10-22/h1-18H/b17-15+,18-16+
InChIKey
ISDFLLZGOWAGAF-YTEMWHBBSA-N
Compound name
(E)-3-[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2
Patents

338.13068 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.13796 183.0
[M+Na]+ 361.11990 187.9
[M-H]- 337.12340 191.6
[M+NH4]+ 356.16450 195.1
[M+K]+ 377.09384 180.8
[M+H-H2O]+ 321.12794 173.1
[M+HCOO]- 383.12888 204.2
[M+CH3COO]- 397.14453 210.3
[M+Na-2H]- 359.10535 184.8
[M]+ 338.13013 181.5
[M]- 338.13123 181.5
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