CID 52925131

1-eicosanoyl-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C25H52NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C25H52NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(28)31-22-24(27)23-33-34(29,30)32-21-20-26/h24,27H,2-23,26H2,1H3,(H,29,30)/t24-/m1/s1
InChIKey
HEQMDGOBDIGJOC-XMMPIXPASA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] icosanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

509.34814 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.355416 227.9
[M+Na]+ 532.337358 231.0
[M-H]- 508.340864 220.2
[M+NH4]+ 527.381963 227.3
[M+K]+ 548.311298 227.0
[M+H-H2O]+ 492.345400 217.4
[M+HCOO]- 554.346341 232.7
[M+CH3COO]- 568.361991 243.5
[M+Na-2H]- 530.322806 210.8
[M]+ 509.34759142 222.1
[M]- 509.34868858 222.1
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

patents stripe