CID 131820946

Pe-nme(9m5/9d3)

Structural Information

Molecular Formula
C43H74NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)C
InChI
InChI=1S/C43H74NO10P/c1-7-9-18-24-37-31-34(3)39(52-37)25-19-14-10-12-16-21-27-42(45)49-32-38(33-51-55(47,48)50-30-29-44-6)53-43(46)28-22-17-13-11-15-20-26-41-36(5)35(4)40(54-41)23-8-2/h31,38,44H,7-30,32-33H2,1-6H3,(H,47,48)/t38-/m1/s1
InChIKey
ZUWYCCCECMYNLD-KXQOOQHDSA-N
Compound name
[(2R)-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] 9-(3-methyl-5-pentylfuran-2-yl)nonanoate
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 278.6
[M+Na]+ 818.49422 290.5
[M-H]- 794.49772 277.0
[M+NH4]+ 813.53882 290.1
[M+K]+ 834.46816 286.6
[M+H-H2O]+ 778.50226 276.8
[M+HCOO]- 840.50320 294.1
[M+CH3COO]- 854.51885 299.3
[M+Na-2H]- 816.47967 259.5
[M]+ 795.50445 280.9
[M]- 795.50555 280.9
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.