CID 137323926

1-(2-methoxy-eicosanyl)-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C26H56NO7P
SMILES
CCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C26H56NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-26(31-2)24-32-22-25(28)23-34-35(29,30)33-21-20-27/h25-26,28H,3-24,27H2,1-2H3,(H,29,30)/t25-,26?/m1/s1
InChIKey
QDZNJWXLLOYCQE-DCWQJPKNSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxyicosoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.37946 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.38674 233.9
[M+Na]+ 548.36868 236.3
[M-H]- 524.37218 225.0
[M+NH4]+ 543.41328 232.9
[M+K]+ 564.34262 233.1
[M+H-H2O]+ 508.37672 223.2
[M+HCOO]- 570.37766 237.5
[M+CH3COO]- 584.39331 247.7
[M+Na-2H]- 546.35413 215.9
[M]+ 525.37891 228.3
[M]- 525.38001 228.3
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.