CID 131820052

Pe-nme(14:0/15:0)

Structural Information

Molecular Formula
C35H70NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC(COC(=O)CCCCCCCCCCCCC)COP(=O)(O)OCCNC
InChI
InChI=1S/C35H70NO8P/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-35(38)44-33(32-43-45(39,40)42-30-29-36-3)31-41-34(37)27-25-23-21-19-17-15-13-11-9-7-5-2/h33,36H,4-32H2,1-3H3,(H,39,40)
InChIKey
YVSUKOAZQLBPGZ-UHFFFAOYSA-N
Compound name
[1-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-3-tetradecanoyloxypropan-2-yl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

663.4839 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 664.49118 269.0
[M+Na]+ 686.47312 272.0
[M+NH4]+ 681.51772 274.3
[M+K]+ 702.44706 271.4
[M-H]- 662.47662 259.8
[M+Na-2H]- 684.45857 269.3
[M]+ 663.48335 267.7
[M]- 663.48445 267.7
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.