CID 131820140

Pe-nme(15:0/20:2(11z,14z))

Structural Information

Molecular Formula
C41H78NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCC/C=C\C/C=C\CCCCC
InChI
InChI=1S/C41H78NO8P/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/h12,14,18-19,39,42H,4-11,13,15-17,20-38H2,1-3H3,(H,45,46)/b14-12-,19-18-
InChIKey
KXBSLBXTKKWQOH-DUZKARGPSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] (11Z,14Z)-icosa-11,14-dienoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

743.5465 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 744.55378 284.6
[M+Na]+ 766.53572 288.0
[M+NH4]+ 761.58032 289.7
[M+K]+ 782.50966 288.3
[M-H]- 742.53922 275.0
[M+Na-2H]- 764.52117 283.8
[M]+ 743.54595 283.5
[M]- 743.54705 283.5
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.