CID 91666405

N-icosanoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C25H52NO7P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)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(29)26-20-21-32-34(30,31)33-23-24(28)22-27/h24,27-28H,2-23H2,1H3,(H,26,29)(H,30,31)/t24-/m1/s1
InChIKey
PWCYQOOJUCZCAO-XMMPIXPASA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 2-(icosanoylamino)ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.34814 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.35542 230.7
[M+Na]+ 532.33736 234.8
[M+NH4]+ 527.38196 233.6
[M+K]+ 548.31130 231.7
[M-H]- 508.34086 223.0
[M+Na-2H]- 530.32281 233.6
[M]+ 509.34759 229.1
[M]- 509.34869 229.1
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.