CID 16218034

151078-50-1

Structural Information

Molecular Formula
C24H26O8
SMILES
CC(=O)OC(=O)C1=CC=C(C=C1)OCCCCCCOC2=CC=C(C=C2)C(=O)OC(=O)C
InChI
InChI=1S/C24H26O8/c1-17(25)31-23(27)19-7-11-21(12-8-19)29-15-5-3-4-6-16-30-22-13-9-20(10-14-22)24(28)32-18(2)26/h7-14H,3-6,15-16H2,1-2H3
InChIKey
UPRXYEYFWUUHHL-UHFFFAOYSA-N
Compound name
acetyl 4-[6-(4-acetyloxycarbonylphenoxy)hexoxy]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

442.16278 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.170056 204.0
[M+Na]+ 465.151998 207.1
[M-H]- 441.155504 209.5
[M+NH4]+ 460.196603 212.2
[M+K]+ 481.125938 206.3
[M+H-H2O]+ 425.160040 194.2
[M+HCOO]- 487.160981 223.2
[M+CH3COO]- 501.176631 228.3
[M+Na-2H]- 463.137446 201.3
[M]+ 442.16223142 213.1
[M]- 442.16332858 213.1
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