CID 131820928

Pe-nme(9d3/9d3)

Structural Information

Molecular Formula
C42H72NO10P
SMILES
CCCC1=C(C(=C(O1)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)C)C
InChI
InChI=1S/C42H72NO10P/c1-8-22-37-32(3)34(5)39(52-37)24-18-14-10-12-16-20-26-41(44)48-30-36(31-50-54(46,47)49-29-28-43-7)51-42(45)27-21-17-13-11-15-19-25-40-35(6)33(4)38(53-40)23-9-2/h36,43H,8-31H2,1-7H3,(H,46,47)/t36-/m1/s1
InChIKey
BXICEQQCPXGICO-PSXMRANNSA-N
Compound name
[(2R)-2-[9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] 9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

781.4894 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 782.49668 276.7
[M+Na]+ 804.47862 288.7
[M-H]- 780.48212 276.0
[M+NH4]+ 799.52322 288.5
[M+K]+ 820.45256 284.8
[M+H-H2O]+ 764.48666 274.8
[M+HCOO]- 826.48760 292.7
[M+CH3COO]- 840.50325 298.1
[M+Na-2H]- 802.46407 257.9
[M]+ 781.48885 278.9
[M]- 781.48995 278.9
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.