CID 86289571

1-o-hexadecyl-2-acetyl-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C23H48NO7P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCCN)OC(=O)C
InChI
InChI=1S/C23H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-28-20-23(31-22(2)25)21-30-32(26,27)29-19-17-24/h23H,3-21,24H2,1-2H3,(H,26,27)/t23-/m1/s1
InChIKey
LEBRETLBLINJDM-HSZRJFAPSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-hexadecoxypropan-2-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.31683 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.32411 223.1
[M+Na]+ 504.30605 227.3
[M+NH4]+ 499.35065 227.3
[M+K]+ 520.27999 224.3
[M-H]- 480.30955 215.7
[M+Na-2H]- 502.29150 226.9
[M]+ 481.31628 221.8
[M]- 481.31738 221.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.