CID 6447427

Brn 2880687

Structural Information

Molecular Formula
C24H20O3
SMILES
COC1=CC=C(C=C1)/C(=C\C=C(C2=CC=CC=C2)C3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C24H20O3/c1-27-21-14-12-20(13-15-21)23(24(25)26)17-16-22(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-17H,1H3,(H,25,26)/b23-17+
InChIKey
BHLBCDAITHAGDT-HAVVHWLPSA-N
Compound name
(2E)-2-(4-methoxyphenyl)-5,5-diphenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.14124 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.14852 187.1
[M+Na]+ 379.13046 190.8
[M-H]- 355.13396 194.4
[M+NH4]+ 374.17506 197.7
[M+K]+ 395.10440 184.9
[M+H-H2O]+ 339.13850 177.5
[M+HCOO]- 401.13944 205.9
[M+CH3COO]- 415.15509 211.6
[M+Na-2H]- 377.11591 187.4
[M]+ 356.14069 185.4
[M]- 356.14179 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.