CID 137323919

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

Structural Information

Molecular Formula
C22H48NO7P
SMILES
CCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C22H48NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27-2)20-28-18-21(24)19-30-31(25,26)29-17-16-23/h21-22,24H,3-20,23H2,1-2H3,(H,25,26)/t21-,22?/m1/s1
InChIKey
ZYBKBZUFQBEKOR-ZMFCMNQTSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxyhexadecoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.31683 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.32411 219.6
[M+Na]+ 492.30605 222.7
[M-H]- 468.30955 212.2
[M+NH4]+ 487.35065 218.8
[M+K]+ 508.27999 217.8
[M+H-H2O]+ 452.31409 209.4
[M+HCOO]- 514.31503 224.8
[M+CH3COO]- 528.33068 236.3
[M+Na-2H]- 490.29150 203.4
[M]+ 469.31628 214.2
[M]- 469.31738 214.2
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.