CID 131820080

Pe-nme(15:0/16:0)

Structural Information

Molecular Formula
C37H74NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChI
InChI=1S/C37H74NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38-3)33-43-36(39)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h35,38H,4-34H2,1-3H3,(H,41,42)
InChIKey
DPHAFKJLLFEXOJ-UHFFFAOYSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-pentadecanoyloxypropan-2-yl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

691.5152 Da
Monoisotopic Mass

10.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.52248 275.7
[M+Na]+ 714.50442 278.4
[M+NH4]+ 709.54902 280.9
[M+K]+ 730.47836 278.2
[M-H]- 690.50792 265.8
[M+Na-2H]- 712.48987 275.3
[M]+ 691.51465 274.2
[M]- 691.51575 274.2
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.