CID 134159881

Ps(dime(9,3)/monome(11,3))

Structural Information

Molecular Formula
C43H72NO12P
SMILES
CCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCC(C(=O)O)N)C
InChI
InChI=1S/C43H72NO12P/c1-6-22-35-28-32(3)38(54-35)24-18-14-10-8-9-11-17-21-27-42(46)55-36(30-52-57(49,50)53-31-37(44)43(47)48)29-51-41(45)26-20-16-13-12-15-19-25-40-34(5)33(4)39(56-40)23-7-2/h28,36-37H,6-27,29-31,44H2,1-5H3,(H,47,48)(H,49,50)
InChIKey
VAQMLCBSNHZPCQ-UHFFFAOYSA-N
Compound name
2-amino-3-[[3-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

825.4792 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 826.48648 280.1
[M+Na]+ 848.46842 282.4
[M+NH4]+ 843.51302 284.9
[M+K]+ 864.44236 283.4
[M-H]- 824.47192 276.5
[M+Na-2H]- 846.45387 281.0
[M]+ 825.47865 280.5
[M]- 825.47975 280.5
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.