CID 91666405

N-icosanoyl-sn-glycero-3-phosphoethanolamine

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]+ 510.355416 231.2
[M+Na]+ 532.337358 233.5
[M-H]- 508.340864 223.5
[M+NH4]+ 527.381963 229.3
[M+K]+ 548.311298 229.7
[M+H-H2O]+ 492.345400 220.0
[M+HCOO]- 554.346341 235.0
[M+CH3COO]- 568.361991 241.7
[M+Na-2H]- 530.322806 213.4
[M]+ 509.34759142 225.1
[M]- 509.34868858 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

literature stripe

Patent stripe

No patent data available for this compound.