CID 3086908

1,3-bis(3-acetoxy-2-acetylphenoxy)-2-acetoxypropane

Structural Information

Molecular Formula
C25H26O10
SMILES
CC(=O)C1=C(C=CC=C1OC(=O)C)OCC(COC2=C(C(=CC=C2)OC(=O)C)C(=O)C)OC(=O)C
InChI
InChI=1S/C25H26O10/c1-14(26)24-20(8-6-10-22(24)34-17(4)29)31-12-19(33-16(3)28)13-32-21-9-7-11-23(35-18(5)30)25(21)15(2)27/h6-11,19H,12-13H2,1-5H3
InChIKey
SWZIWWYLQAZTIC-UHFFFAOYSA-N
Compound name
[2-acetyl-3-[3-(2-acetyl-3-acetyloxyphenoxy)-2-acetyloxypropoxy]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.1526 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.15988 205.9
[M+Na]+ 509.14182 214.1
[M+NH4]+ 504.18642 206.6
[M+K]+ 525.11576 213.2
[M-H]- 485.14532 204.2
[M+Na-2H]- 507.12727 207.4
[M]+ 486.15205 205.9
[M]- 486.15315 205.9
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.