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]+ 471.274126 220.4
[M+Na]+ 493.256068 221.9
[M-H]- 469.259574 224.7
[M+NH4]+ 488.300673 227.7
[M+K]+ 509.230008 218.6
[M+H-H2O]+ 453.264110 209.4
[M+HCOO]- 515.265051 239.3
[M+CH3COO]- 529.280701 236.5
[M+Na-2H]- 491.241516 217.2
[M]+ 470.26630142 230.6
[M]- 470.26739858 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.