CID 53479584

Pe(15:0/p-18:0)

Structural Information

Molecular Formula
C38H76NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C38H76NO7P/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-33-43-37(36-46-47(41,42)45-34-32-39)35-44-38(40)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h30,33,37H,3-29,31-32,34-36,39H2,1-2H3,(H,41,42)/b33-30-/t37-/m1/s1
InChIKey
VMKHWVDXCBTNNQ-APMJBGCSSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

689.53595 Da
Monoisotopic Mass

11.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 690.54323 271.2
[M+Na]+ 712.52517 274.5
[M+NH4]+ 707.56977 274.9
[M+K]+ 728.49911 274.3
[M-H]- 688.52867 259.6
[M+Na-2H]- 710.51062 270.6
[M]+ 689.53540 269.2
[M]- 689.53650 269.2
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.