CID 131820956

Pe-nme2(14:0/16:0)

Structural Information

Molecular Formula
C37H74NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCN(C)C
InChI
InChI=1S/C37H74NO8P/c1-5-7-9-11-13-15-17-18-20-22-24-26-28-30-37(40)46-35(34-45-47(41,42)44-32-31-38(3)4)33-43-36(39)29-27-25-23-21-19-16-14-12-10-8-6-2/h35H,5-34H2,1-4H3,(H,41,42)
InChIKey
SGCCCNLCHZNZIU-UHFFFAOYSA-N
Compound name
[1-[2-(dimethylamino)ethoxy-hydroxyphosphoryl]oxy-3-tetradecanoyloxypropan-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 278.3
[M+Na]+ 714.50442 280.9
[M+NH4]+ 709.54902 285.0
[M+K]+ 730.47836 280.8
[M-H]- 690.50792 269.3
[M+Na-2H]- 712.48987 278.1
[M]+ 691.51465 277.3
[M]- 691.51575 277.3
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.