CID 52924112

Pe(14:0/13:0)

Structural Information

Molecular Formula
C32H64NO8P
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCC
InChI
InChI=1S/C32H64NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-31(34)38-28-30(29-40-42(36,37)39-27-26-33)41-32(35)25-23-21-19-16-14-12-10-8-6-4-2/h30H,3-29,33H2,1-2H3,(H,36,37)/t30-/m1/s1
InChIKey
OEFLVPAGNOKBAV-SSEXGKCCSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-tridecanoyloxypropyl] tetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

621.43695 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 622.44423 254.3
[M+Na]+ 644.42617 257.9
[M-H]- 620.42967 247.4
[M+NH4]+ 639.47077 258.6
[M+K]+ 660.40011 256.6
[M+H-H2O]+ 604.43421 245.0
[M+HCOO]- 666.43515 256.5
[M+CH3COO]- 680.45080 266.6
[M+Na-2H]- 642.41162 235.7
[M]+ 621.43640 250.4
[M]- 621.43750 250.4
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.