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 222.2
[M+Na]+ 504.30605 226.8
[M-H]- 480.30955 215.7
[M+NH4]+ 499.35065 224.0
[M+K]+ 520.27999 221.8
[M+H-H2O]+ 464.31409 213.2
[M+HCOO]- 526.31503 229.6
[M+CH3COO]- 540.33068 240.0
[M+Na-2H]- 502.29150 206.8
[M]+ 481.31628 217.9
[M]- 481.31738 217.9
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.