CID 131820079

Pe-nme(15:0/20:1(11z))

Structural Information

Molecular Formula
C41H80NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\CCCCCCCC
InChI
InChI=1S/C41H80NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42-3)37-47-40(43)33-31-29-27-25-23-17-15-13-11-9-7-5-2/h18-19,39,42H,4-17,20-38H2,1-3H3,(H,45,46)/b19-18-
InChIKey
YHUNGNCENCYUJV-HNENSFHCSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (Z)-icos-11-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

745.56213 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.56941 286.7
[M+Na]+ 768.55135 289.6
[M+NH4]+ 763.59595 291.8
[M+K]+ 784.52529 290.0
[M-H]- 744.55485 276.2
[M+Na-2H]- 766.53680 285.5
[M]+ 745.56158 285.3
[M]- 745.56268 285.3
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.