CID 137323912

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

Structural Information

Molecular Formula
C20H44NO7P
SMILES
CCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C20H44NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-20(25-2)18-26-16-19(22)17-28-29(23,24)27-15-14-21/h19-20,22H,3-18,21H2,1-2H3,(H,23,24)/t19-,20?/m1/s1
InChIKey
WWHPIBOGSHWKNL-FIWHBWSRSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxytetradecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.28555 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.29283 212.3
[M+Na]+ 464.27477 215.8
[M-H]- 440.27827 205.8
[M+NH4]+ 459.31937 211.6
[M+K]+ 480.24871 210.1
[M+H-H2O]+ 424.28281 202.4
[M+HCOO]- 486.28375 218.4
[M+CH3COO]- 500.29940 230.5
[M+Na-2H]- 462.26022 197.1
[M]+ 441.28500 207.0
[M]- 441.28610 207.0
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.