CID 91666370

N,1-dipalmitoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C37H74NO8P
SMILES
CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)O
InChI
InChI=1S/C37H74NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-36(40)38-31-32-45-47(42,43)46-34-35(39)33-44-37(41)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h35,39H,3-34H2,1-2H3,(H,38,40)(H,42,43)/t35-/m1/s1
InChIKey
VXNFVSFEDKCAHO-PGUFJCEWSA-N
Compound name
[(2R)-3-[2-(hexadecanoylamino)ethoxy-hydroxyphosphoryl]oxy-2-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

691.5152 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 692.52248 273.4
[M+Na]+ 714.50442 276.3
[M+NH4]+ 709.54902 277.9
[M+K]+ 730.47836 276.0
[M-H]- 690.50792 263.7
[M+Na-2H]- 712.48987 273.1
[M]+ 691.51465 271.8
[M]- 691.51575 271.8
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.