CID 131821828

Pe-nme2(9d3/9d5)

Structural Information

Molecular Formula
C45H78NO10P
SMILES
CCCCCC1=C(C(=C(O1)CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCC2=C(C(=C(O2)CCC)C)C)COP(=O)(O)OCCN(C)C)C)C
InChI
InChI=1S/C45H78NO10P/c1-9-11-20-26-41-37(5)38(6)43(56-41)28-22-17-13-15-19-24-30-45(48)54-39(34-53-57(49,50)52-32-31-46(7)8)33-51-44(47)29-23-18-14-12-16-21-27-42-36(4)35(3)40(55-42)25-10-2/h39H,9-34H2,1-8H3,(H,49,50)/t39-/m1/s1
InChIKey
LYTSNLMETDWGPB-LDLOPFEMSA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[9-(3,4-dimethyl-5-pentylfuran-2-yl)nonanoyloxy]propyl] 9-(3,4-dimethyl-5-propylfuran-2-yl)nonanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

823.5363 Da
Monoisotopic Mass

9.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 824.54358 293.2
[M+Na]+ 846.52552 294.9
[M+NH4]+ 841.57012 297.7
[M+K]+ 862.49946 295.3
[M-H]- 822.52902 285.7
[M+Na-2H]- 844.51097 292.2
[M]+ 823.53575 292.6
[M]- 823.53685 292.6
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.