CID 131820199

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

Structural Information

Molecular Formula
C38H76NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C38H76NO8P/c1-4-6-8-10-12-14-16-17-18-19-21-22-24-26-28-30-37(40)44-34-36(35-46-48(42,43)45-33-32-39-3)47-38(41)31-29-27-25-23-20-15-13-11-9-7-5-2/h36,39H,4-35H2,1-3H3,(H,42,43)
InChIKey
HRIMOXHFCANLFR-UHFFFAOYSA-N
Compound name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

705.5309 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 706.53818 279.6
[M+Na]+ 728.52012 282.2
[M-H]- 704.52362 270.7
[M+NH4]+ 723.56472 284.7
[M+K]+ 744.49406 283.7
[M+H-H2O]+ 688.52816 270.0
[M+HCOO]- 750.52910 280.0
[M+CH3COO]- 764.54475 283.4
[M+Na-2H]- 726.50557 258.3
[M]+ 705.53035 276.9
[M]- 705.53145 276.9
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.