CID 131820076

Pe-nme(14:1(9z)/20:0)

Structural Information

Molecular Formula
C40H78NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCC/C=C\CCCC)COP(=O)(O)OCCNC
InChI
InChI=1S/C40H78NO8P/c1-4-6-8-10-12-14-16-17-18-19-20-21-23-25-27-29-31-33-40(43)49-38(37-48-50(44,45)47-35-34-41-3)36-46-39(42)32-30-28-26-24-22-15-13-11-9-7-5-2/h11,13,38,41H,4-10,12,14-37H2,1-3H3,(H,44,45)/b13-11-
InChIKey
CIQZGDAAYILVIB-QBFSEMIESA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropan-2-yl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

731.5465 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 732.55378 283.4
[M+Na]+ 754.53572 286.4
[M+NH4]+ 749.58032 288.5
[M+K]+ 770.50966 286.7
[M-H]- 730.53922 273.3
[M+Na-2H]- 752.52117 282.5
[M]+ 731.54595 282.1
[M]- 731.54705 282.1
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.