CID 6447425

75226-89-0

Structural Information

Molecular Formula
C24H20O2
SMILES
CC1=CC=C(C=C1)/C(=C\C=C(C2=CC=CC=C2)C3=CC=CC=C3)/C(=O)O
InChI
InChI=1S/C24H20O2/c1-18-12-14-21(15-13-18)23(24(25)26)17-16-22(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-17H,1H3,(H,25,26)/b23-17+
InChIKey
UMXVVCXDMHGELF-HAVVHWLPSA-N
Compound name
(2E)-2-(4-methylphenyl)-5,5-diphenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.14633 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.153606 183.7
[M+Na]+ 363.135548 187.6
[M-H]- 339.139054 191.0
[M+NH4]+ 358.180153 195.1
[M+K]+ 379.109488 180.9
[M+H-H2O]+ 323.143590 174.4
[M+HCOO]- 385.144531 202.3
[M+CH3COO]- 399.160181 209.5
[M+Na-2H]- 361.120996 184.0
[M]+ 340.14578142 180.6
[M]- 340.14687858 180.6
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.