CID 131821844

Pe-nme2(9m5/9d3)

Structural Information

Molecular Formula
C44H76NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)C
InChI
InChI=1S/C44H76NO10P/c1-8-10-19-25-38-32-35(3)40(53-38)26-20-15-11-13-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45(6)7)54-44(47)29-23-18-14-12-16-21-27-42-37(5)36(4)41(55-42)24-9-2/h32,39H,8-31,33-34H2,1-7H3,(H,48,49)/t39-/m1/s1
InChIKey
GXEKASOHSWIGSP-LDLOPFEMSA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]propyl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

809.5207 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 810.52798 288.5
[M+Na]+ 832.50992 290.6
[M+NH4]+ 827.55452 293.2
[M+K]+ 848.48386 290.9
[M-H]- 808.51342 281.1
[M+Na-2H]- 830.49537 287.9
[M]+ 809.52015 288.0
[M]- 809.52125 288.0
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.