CID 5146786

1,10-bis[4-(ethoxycarbonyl)phenoxy]decane

Structural Information

Molecular Formula
C28H38O6
SMILES
CCOC(=O)C1=CC=C(C=C1)OCCCCCCCCCCOC2=CC=C(C=C2)C(=O)OCC
InChI
InChI=1S/C28H38O6/c1-3-31-27(29)23-13-17-25(18-14-23)33-21-11-9-7-5-6-8-10-12-22-34-26-19-15-24(16-20-26)28(30)32-4-2/h13-20H,3-12,21-22H2,1-2H3
InChIKey
PSGYTOLXVIWDFP-UHFFFAOYSA-N
Compound name
ethyl 4-[10-(4-ethoxycarbonylphenoxy)decoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.26685 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.27413 220.4
[M+Na]+ 493.25607 221.9
[M-H]- 469.25957 224.7
[M+NH4]+ 488.30067 227.7
[M+K]+ 509.23001 218.6
[M+H-H2O]+ 453.26411 209.4
[M+HCOO]- 515.26505 239.3
[M+CH3COO]- 529.28070 236.5
[M+Na-2H]- 491.24152 217.2
[M]+ 470.26630 230.6
[M]- 470.26740 230.6
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.