CID 53479716

Pe(20:0/p-18:1(11z))

Structural Information

Molecular Formula
C43H84NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O/C=C\CCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C43H84NO7P/c1-3-5-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-36-43(45)49-40-42(41-51-52(46,47)50-39-37-44)48-38-35-33-31-29-27-25-23-20-18-16-14-12-10-8-6-4-2/h14,16,35,38,42H,3-13,15,17-34,36-37,39-41,44H2,1-2H3,(H,46,47)/b16-14-,38-35-/t42-/m1/s1
InChIKey
UAPYZCDNFGJZSC-QSKLCZHJSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(1Z,11Z)-octadeca-1,11-dienoxy]propyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

757.5985 Da
Monoisotopic Mass

13.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 758.60578 285.4
[M+Na]+ 780.58772 288.7
[M+NH4]+ 775.63232 288.8
[M+K]+ 796.56166 289.2
[M-H]- 756.59122 272.8
[M+Na-2H]- 778.57317 283.6
[M]+ 757.59795 283.2
[M]- 757.59905 283.2
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.