CID 131770146

Pe(dime(11,3)/dime(9,3))

Structural Information

Molecular Formula
C43H74NO10P
SMILES
CCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)C)C
InChI
InChI=1S/C43H74NO10P/c1-7-23-38-33(3)35(5)40(53-38)25-19-15-11-9-10-12-17-21-27-42(45)49-31-37(32-51-55(47,48)50-30-29-44)52-43(46)28-22-18-14-13-16-20-26-41-36(6)34(4)39(54-41)24-8-2/h37H,7-32,44H2,1-6H3,(H,47,48)/t37-/m1/s1
InChIKey
IKURMHUPQRXPBN-DIPNUNPCSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propyl] 11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

795.505 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.51228 279.7
[M+Na]+ 818.49422 281.9
[M+NH4]+ 813.53882 282.5
[M+K]+ 834.46816 282.0
[M-H]- 794.49772 272.1
[M+Na-2H]- 816.47967 279.4
[M]+ 795.50445 278.7
[M]- 795.50555 278.7
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.