CID 131821815

Pe-nme2(13m5/11m5)

Structural Information

Molecular Formula
C51H90NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN(C)C)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCCCC)C)C
InChI
InChI=1S/C51H90NO10P/c1-7-9-25-31-45-39-43(3)48(60-45)33-27-21-17-13-11-12-14-19-23-29-35-50(53)57-41-47(42-59-63(55,56)58-38-37-52(5)6)62-51(54)36-30-24-20-16-15-18-22-28-34-49-44(4)40-46(61-49)32-26-10-8-2/h39-40,47H,7-38,41-42H2,1-6H3,(H,55,56)/t47-/m1/s1
InChIKey
BICRCLRYXWSBFR-QZNUWAOFSA-N
Compound name
[(2R)-3-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-2-[11-(3-methyl-5-pentylfuran-2-yl)undecanoyloxy]propyl] 13-(3-methyl-5-pentylfuran-2-yl)tridecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

907.63025 Da
Monoisotopic Mass

12.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 908.63753 308.3
[M+Na]+ 930.61947 310.0
[M+NH4]+ 925.66407 312.9
[M+K]+ 946.59341 311.8
[M-H]- 906.62297 298.5
[M+Na-2H]- 928.60492 305.8
[M]+ 907.62970 307.3
[M]- 907.63080 307.3
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.