CID 137323931

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

Structural Information

Molecular Formula
C30H64NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C30H64NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-30(35-2)28-36-26-29(32)27-38-39(33,34)37-25-24-31/h29-30,32H,3-28,31H2,1-2H3,(H,33,34)/t29-,30?/m1/s1
InChIKey
SJTIJLILHAXIGU-IDCGIGBZSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxytetracosoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

581.442 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.44928 247.9
[M+Na]+ 604.43122 249.5
[M-H]- 580.43472 237.4
[M+NH4]+ 599.47582 246.8
[M+K]+ 620.40516 248.0
[M+H-H2O]+ 564.43926 236.7
[M+HCOO]- 626.44020 249.8
[M+CH3COO]- 640.45585 259.0
[M+Na-2H]- 602.41667 228.1
[M]+ 581.44145 242.2
[M]- 581.44255 242.2
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.