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]+ 796.512276 278.6
[M+Na]+ 818.494218 290.5
[M-H]- 794.497724 277.0
[M+NH4]+ 813.538823 290.1
[M+K]+ 834.468158 286.6
[M+H-H2O]+ 778.502260 276.8
[M+HCOO]- 840.503201 294.1
[M+CH3COO]- 854.518851 299.3
[M+Na-2H]- 816.479666 259.5
[M]+ 795.50445142 280.9
[M]- 795.50554858 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.