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 231.2
[M+Na]+ 532.33736 233.5
[M-H]- 508.34086 223.5
[M+NH4]+ 527.38196 229.3
[M+K]+ 548.31130 229.7
[M+H-H2O]+ 492.34540 220.0
[M+HCOO]- 554.34634 235.0
[M+CH3COO]- 568.36199 241.7
[M+Na-2H]- 530.32281 213.4
[M]+ 509.34759 225.1
[M]- 509.34869 225.1
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.