CID 134159854

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

Structural Information

Molecular Formula
C45H76NO12P
SMILES
CCCC1=CC(=C(O1)CCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCC(C(=O)O)N)C
InChI
InChI=1S/C45H76NO12P/c1-6-24-37-30-34(3)40(56-37)26-20-16-12-8-11-15-19-23-29-44(48)57-38(32-54-59(51,52)55-33-39(46)45(49)50)31-53-43(47)28-22-18-14-10-9-13-17-21-27-42-36(5)35(4)41(58-42)25-7-2/h30,38-39H,6-29,31-33,46H2,1-5H3,(H,49,50)(H,51,52)
InChIKey
UFPATSMMJDLXQS-UHFFFAOYSA-N
Compound name
2-amino-3-[[3-[11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoyloxy]-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

853.5105 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 854.51778 286.3
[M+Na]+ 876.49972 288.4
[M+NH4]+ 871.54432 291.0
[M+K]+ 892.47366 289.8
[M-H]- 852.50322 282.0
[M+Na-2H]- 874.48517 286.5
[M]+ 853.50995 286.5
[M]- 853.51105 286.5
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.