CID 52925145

1-heneicosanoyl-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C26H54NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C26H54NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26(29)32-23-25(28)24-34-35(30,31)33-22-21-27/h25,28H,2-24,27H2,1H3,(H,30,31)/t25-/m1/s1
InChIKey
JPTRRYQAYCFMLQ-RUZDIDTESA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] henicosanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

523.3638 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 524.37108 231.4
[M+Na]+ 546.35302 234.4
[M-H]- 522.35652 223.3
[M+NH4]+ 541.39762 230.8
[M+K]+ 562.32696 230.7
[M+H-H2O]+ 506.36106 220.8
[M+HCOO]- 568.36200 235.9
[M+CH3COO]- 582.37765 246.3
[M+Na-2H]- 544.33847 213.9
[M]+ 523.36325 225.6
[M]- 523.36435 225.6
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

patents stripe