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

37
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 201.2
[M+Na]+ 443.12539 203.8
[M-H]- 419.12889 210.2
[M+NH4]+ 438.16999 207.5
[M+K]+ 459.09933 197.7
[M+H-H2O]+ 403.13343 190.4
[M+HCOO]- 465.13437 217.1
[M+CH3COO]- 479.15002 222.5
[M+Na-2H]- 441.11084 199.7
[M]+ 420.13562 197.4
[M]- 420.13672 197.4
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

patents stripe