CID 131820818

Pe-nme(24:0/18:0)

Structural Information

Molecular Formula
C48H96NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCCCCC
InChI
InChI=1S/C48H96NO8P/c1-4-6-8-10-12-14-16-18-20-21-22-23-24-25-27-28-30-32-34-36-38-40-47(50)54-44-46(45-56-58(52,53)55-43-42-49-3)57-48(51)41-39-37-35-33-31-29-26-19-17-15-13-11-9-7-5-2/h46,49H,4-45H2,1-3H3,(H,52,53)
InChIKey
BLAUVGNGZUXWCH-UHFFFAOYSA-N
Compound name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-octadecanoyloxypropyl] tetracosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

845.6874 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 846.69468 311.4
[M+Na]+ 868.67662 312.2
[M-H]- 844.68012 298.7
[M+NH4]+ 863.72122 316.4
[M+K]+ 884.65056 318.0
[M+H-H2O]+ 828.68466 300.9
[M+HCOO]- 890.68560 308.0
[M+CH3COO]- 904.70125 309.3
[M+Na-2H]- 866.66207 286.3
[M]+ 845.68685 309.8
[M]- 845.68795 309.8
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.