CID 59702805

Schembl1087533

Structural Information

Molecular Formula
C40H58O19
SMILES
C=CC(=O)OCCOCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCC(COCCOC(=O)C=C)(COCCOC(=O)C=C)COCCOC(=O)C=C
InChI
InChI=1S/C40H58O19/c1-7-33(41)54-19-13-47-25-39(26-48-14-20-55-34(42)8-2,27-49-15-21-56-35(43)9-3)31-53-32-40(28-50-16-22-57-36(44)10-4,29-51-17-23-58-37(45)11-5)30-52-18-24-59-38(46)12-6/h7-12H,1-6,13-32H2
InChIKey
HNKYJYDOEZFFAU-UHFFFAOYSA-N
Compound name
2-[3-(2-prop-2-enoyloxyethoxy)-2-[[3-(2-prop-2-enoyloxyethoxy)-2,2-bis(2-prop-2-enoyloxyethoxymethyl)propoxy]methyl]-2-(2-prop-2-enoyloxyethoxymethyl)propoxy]ethyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

100
Patents

842.35724 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 843.36452 289.4
[M+Na]+ 865.34646 288.9
[M+NH4]+ 860.39106 301.6
[M+K]+ 881.32040 292.0
[M-H]- 841.34996 291.5
[M+Na-2H]- 863.33191 291.9
[M]+ 842.35669 292.4
[M]- 842.35779 292.4
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