CID 131820202

Pe-nme(18:0/16:0)

Structural Information

Molecular Formula
C40H80NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C40H80NO8P/c1-4-6-8-10-12-14-16-18-19-21-22-24-26-28-30-32-39(42)46-36-38(37-48-50(44,45)47-35-34-41-3)49-40(43)33-31-29-27-25-23-20-17-15-13-11-9-7-5-2/h38,41H,4-37H2,1-3H3,(H,44,45)
InChIKey
NOSKVNIRXWIJCM-UHFFFAOYSA-N
Compound name
[2-hexadecanoyloxy-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

733.56213 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 734.56941 285.5
[M+Na]+ 756.55135 288.0
[M+NH4]+ 751.59595 290.6
[M+K]+ 772.52529 288.4
[M-H]- 732.55485 274.6
[M+Na-2H]- 754.53680 284.2
[M]+ 733.56158 283.9
[M]- 733.56268 283.9
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.