CID 131820924

Pe-nme(9d3/11m3)

Structural Information

Molecular Formula
C43H74NO10P
SMILES
CCCC1=CC(=C(O1)CCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCCNC)C
InChI
InChI=1S/C43H74NO10P/c1-7-23-37-31-34(3)39(52-37)25-19-15-11-9-10-12-18-22-28-43(46)53-38(33-51-55(47,48)50-30-29-44-6)32-49-42(45)27-21-17-14-13-16-20-26-41-36(5)35(4)40(54-41)24-8-2/h31,38,44H,7-30,32-33H2,1-6H3,(H,47,48)/t38-/m1/s1
InChIKey
QRYPOBAVFJSGPY-KXQOOQHDSA-N
Compound name
[(2R)-1-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropan-2-yl] 11-(3-methyl-5-propylfuran-2-yl)undecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

795.505 Da
Monoisotopic Mass

8.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 796.51228 282.7
[M+Na]+ 818.49422 285.0
[M+NH4]+ 813.53882 285.9
[M+K]+ 834.46816 285.0
[M-H]- 794.49772 274.7
[M+Na-2H]- 816.47967 282.2
[M]+ 795.50445 281.8
[M]- 795.50555 281.8
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.