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

22
Patents

442.16278 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.17006 204.0
[M+Na]+ 465.15200 207.1
[M-H]- 441.15550 209.5
[M+NH4]+ 460.19660 212.2
[M+K]+ 481.12594 206.3
[M+H-H2O]+ 425.16004 194.2
[M+HCOO]- 487.16098 223.2
[M+CH3COO]- 501.17663 228.3
[M+Na-2H]- 463.13745 201.3
[M]+ 442.16223 213.1
[M]- 442.16333 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