CID 137323925

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

Structural Information

Molecular Formula
C25H54NO7P
SMILES
CCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C25H54NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25(30-2)23-31-21-24(27)22-33-34(28,29)32-20-19-26/h24-25,27H,3-23,26H2,1-2H3,(H,28,29)/t24-,25?/m1/s1
InChIKey
GTSHDNQMVASCON-IKOFQBKESA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxynonadecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

511.3638 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 512.37108 230.4
[M+Na]+ 534.35302 232.9
[M-H]- 510.35652 221.8
[M+NH4]+ 529.39762 229.4
[M+K]+ 550.32696 229.3
[M+H-H2O]+ 494.36106 219.8
[M+HCOO]- 556.36200 234.3
[M+CH3COO]- 570.37765 244.9
[M+Na-2H]- 532.33847 212.8
[M]+ 511.36325 224.8
[M]- 511.36435 224.8
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.