CID 86289571

1-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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	482.324106	222.2
[M+Na]+	504.306048	226.8
[M-H]-	480.309554	215.7
[M+NH4]+	499.350653	224.0
[M+K]+	520.279988	221.8
[M+H-H2O]+	464.314090	213.2
[M+HCOO]-	526.315031	229.6
[M+CH3COO]-	540.330681	240.0
[M+Na-2H]-	502.291496	206.8
[M]+	481.31628142	217.9
[M]-	481.31737858	217.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.