CID 5818438

(e)-diethyl 4,4'-(ethene-1,2-diyl)dibenzoate

Structural Information

Molecular Formula
C20H20O4
SMILES
CCOC(=O)C1=CC=C(C=C1)/C=C/C2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C20H20O4/c1-3-23-19(21)17-11-7-15(8-12-17)5-6-16-9-13-18(14-10-16)20(22)24-4-2/h5-14H,3-4H2,1-2H3/b6-5+
InChIKey
DLDMSMRLGYFVHW-AATRIKPKSA-N
Compound name
ethyl 4-[(E)-2-(4-ethoxycarbonylphenyl)ethenyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

324.13617 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.14345 177.1
[M+Na]+ 347.12539 183.1
[M-H]- 323.12889 183.4
[M+NH4]+ 342.16999 190.9
[M+K]+ 363.09933 179.5
[M+H-H2O]+ 307.13343 168.6
[M+HCOO]- 369.13437 198.9
[M+CH3COO]- 383.15002 207.7
[M+Na-2H]- 345.11084 178.1
[M]+ 324.13562 181.1
[M]- 324.13672 181.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe