CID 53479560

Pe(14:0/p-18:0)

Structural Information

Molecular Formula
C37H74NO7P
SMILES
CCCCCCCCCCCCCCCC/C=C\O[C@H](COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN
InChI
InChI=1S/C37H74NO7P/c1-3-5-7-9-11-13-15-16-17-18-19-21-23-25-27-29-32-42-36(35-45-46(40,41)44-33-31-38)34-43-37(39)30-28-26-24-22-20-14-12-10-8-6-4-2/h29,32,36H,3-28,30-31,33-35,38H2,1-2H3,(H,40,41)/b32-29-/t36-/m1/s1
InChIKey
JABQJBDQHHIMEX-PXOIRPRXSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-[(Z)-octadec-1-enoxy]propyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

675.52026 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 676.52754 268.4
[M+Na]+ 698.50948 271.1
[M-H]- 674.51298 257.3
[M+NH4]+ 693.55408 270.2
[M+K]+ 714.48342 271.5
[M+H-H2O]+ 658.51752 257.8
[M+HCOO]- 720.51846 271.1
[M+CH3COO]- 734.53411 277.9
[M+Na-2H]- 696.49493 247.5
[M]+ 675.51971 263.9
[M]- 675.52081 263.9
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.