CID 853458

4,4'-dimethylenebis(ethyl benzoate)

Structural Information

Molecular Formula
C20H22O4
SMILES
CCOC(=O)C1=CC=C(C=C1)CCC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C20H22O4/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/h7-14H,3-6H2,1-2H3
InChIKey
BUGQXHPFTVMLSP-UHFFFAOYSA-N
Compound name
ethyl 4-[2-(4-ethoxycarbonylphenyl)ethyl]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

326.1518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.159076 178.3
[M+Na]+ 349.141018 183.9
[M-H]- 325.144524 184.5
[M+NH4]+ 344.185623 192.0
[M+K]+ 365.114958 180.9
[M+H-H2O]+ 309.149060 169.7
[M+HCOO]- 371.150001 199.8
[M+CH3COO]- 385.165651 209.1
[M+Na-2H]- 347.126466 179.3
[M]+ 326.15125142 183.1
[M]- 326.15234858 183.1
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