CID 131820394

Pe-nme(20:0/15:0)

Structural Information

Molecular Formula
C41H82NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C41H82NO8P/c1-4-6-8-10-12-14-16-18-19-20-21-22-24-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42-3)50-41(44)34-32-30-28-26-23-17-15-13-11-9-7-5-2/h39,42H,4-38H2,1-3H3,(H,45,46)
InChIKey
AHBGBUDVPWRTSH-UHFFFAOYSA-N
Compound name
[3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxy-2-pentadecanoyloxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

747.5778 Da
Monoisotopic Mass

12.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 748.58508 289.4
[M+Na]+ 770.56702 291.4
[M-H]- 746.57052 279.3
[M+NH4]+ 765.61162 294.4
[M+K]+ 786.54096 294.2
[M+H-H2O]+ 730.57506 279.5
[M+HCOO]- 792.57600 288.6
[M+CH3COO]- 806.59165 291.3
[M+Na-2H]- 768.55247 266.9
[M]+ 747.57725 287.0
[M]- 747.57835 287.0
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.