CID 131820132

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

Structural Information

Molecular Formula
C35H70NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C35H70NO8P/c1-4-6-8-10-12-14-16-18-19-21-23-25-27-34(37)41-31-33(32-43-45(39,40)42-30-29-36-3)44-35(38)28-26-24-22-20-17-15-13-11-9-7-5-2/h33,36H,4-32H2,1-3H3,(H,39,40)
InChIKey
UCJWLPNIWYWNQO-UHFFFAOYSA-N
Compound name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-tetradecanoyloxypropyl] 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 269.6
[M+Na]+ 686.47312 272.7
[M-H]- 662.47662 261.9
[M+NH4]+ 681.51772 274.8
[M+K]+ 702.44706 273.0
[M+H-H2O]+ 646.48116 260.4
[M+HCOO]- 708.48210 271.2
[M+CH3COO]- 722.49775 275.3
[M+Na-2H]- 684.45857 249.6
[M]+ 663.48335 266.7
[M]- 663.48445 266.7
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.