CID 137323924

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

Structural Information

Molecular Formula
C24H52NO7P
SMILES
CCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C24H52NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(29-2)22-30-20-23(26)21-32-33(27,28)31-19-18-25/h23-24,26H,3-22,25H2,1-2H3,(H,27,28)/t23-,24?/m1/s1
InChIKey
LJJCPBHNHZHLPK-MIHMCVIASA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxyoctadecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

497.34814 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 498.35542 226.8
[M+Na]+ 520.33736 229.5
[M-H]- 496.34086 218.6
[M+NH4]+ 515.38196 225.9
[M+K]+ 536.31130 225.5
[M+H-H2O]+ 480.34540 216.4
[M+HCOO]- 542.34634 231.2
[M+CH3COO]- 556.36199 242.0
[M+Na-2H]- 518.32281 209.7
[M]+ 497.34759 221.3
[M]- 497.34869 221.3
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.