CID 3086909

Brn 5685185

Structural Information

Molecular Formula
C27H32O11
SMILES
CCOC(=O)COC1=CC=CC(=C1C(=O)C)OCC(COC2=C(C(=CC=C2)OCC(=O)OCC)C(=O)C)O
InChI
InChI=1S/C27H32O11/c1-5-33-24(31)15-37-22-11-7-9-20(26(22)17(3)28)35-13-19(30)14-36-21-10-8-12-23(27(21)18(4)29)38-16-25(32)34-6-2/h7-12,19,30H,5-6,13-16H2,1-4H3
InChIKey
YNUYHAQQEQKBKI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-acetyl-3-[3-[2-acetyl-3-(2-ethoxy-2-oxoethoxy)phenoxy]-2-hydroxypropoxy]phenoxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

532.19446 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 533.20174 219.9
[M+Na]+ 555.18368 226.9
[M+NH4]+ 550.22828 236.6
[M+K]+ 571.15762 225.6
[M-H]- 531.18718 217.6
[M+Na-2H]- 553.16913 220.2
[M]+ 532.19391 219.5
[M]- 532.19501 219.5
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.