CID 131820914

Pe-nme(13m5/11d5)

Structural Information

Molecular Formula
C51H90NO10P
SMILES
CCCCCC1=CC(=C(O1)CCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C
InChI
InChI=1S/C51H90NO10P/c1-7-9-25-31-45-39-42(3)47(60-45)32-27-21-17-13-11-12-14-19-23-29-35-50(53)57-40-46(41-59-63(55,56)58-38-37-52-6)61-51(54)36-30-24-20-16-15-18-22-28-34-49-44(5)43(4)48(62-49)33-26-10-8-2/h39,46,52H,7-38,40-41H2,1-6H3,(H,55,56)/t46-/m1/s1
InChIKey
YFNKPLVNSOKDSB-YACUFSJGSA-N
Compound name
[(2R)-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] 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

12.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 908.63753 306.9
[M+Na]+ 930.61947 308.5
[M+NH4]+ 925.66407 309.8
[M+K]+ 946.59341 310.0
[M-H]- 906.62297 296.3
[M+Na-2H]- 928.60492 304.0
[M]+ 907.62970 305.4
[M]- 907.63080 305.4
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.