CID 16413808

331459-99-5

Structural Information

Molecular Formula
C24H18O3
SMILES
C1=CC=C(C=C1)/C=C\C(=O)OC2=CC=C(C=C2)/C=C/C(=O)C3=CC=CC=C3
InChI
InChI=1S/C24H18O3/c25-23(21-9-5-2-6-10-21)17-13-20-11-15-22(16-12-20)27-24(26)18-14-19-7-3-1-4-8-19/h1-18H/b17-13+,18-14-
InChIKey
AQUDAQATXWUGHF-XINBEAJESA-N
Compound name
[4-[(E)-3-oxo-3-phenylprop-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.12558 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.13286 186.6
[M+Na]+ 377.11480 191.5
[M-H]- 353.11830 195.3
[M+NH4]+ 372.15940 198.1
[M+K]+ 393.08874 185.2
[M+H-H2O]+ 337.12284 176.6
[M+HCOO]- 399.12378 208.1
[M+CH3COO]- 413.13943 211.7
[M+Na-2H]- 375.10025 188.4
[M]+ 354.12503 186.5
[M]- 354.12613 186.5
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.