CID 56942425

1002339-79-8

Structural Information

Molecular Formula
C28H20O4
SMILES
C1=CC=C(C=C1)/C(=C(/C2=CC=CC=C2)\C3=CC=C(C=C3)C(=O)O)/C4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C28H20O4/c29-27(30)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)28(31)32/h1-18H,(H,29,30)(H,31,32)/b26-25+
InChIKey
MTTUYJXPONEHGK-OCEACIFDSA-N
Compound name
4-[(E)-2-(4-carboxyphenyl)-1,2-diphenylethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

420.13617 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.14345 202.2
[M+Na]+ 443.12539 217.4
[M+NH4]+ 438.16999 208.4
[M+K]+ 459.09933 209.6
[M-H]- 419.12889 209.1
[M+Na-2H]- 441.11084 213.2
[M]+ 420.13562 206.3
[M]- 420.13672 206.3
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

patents stripe