CID 137323930

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

Structural Information

Molecular Formula
C29H62NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(COC[C@H](COP(=O)(O)OCCN)O)OC
InChI
InChI=1S/C29H62NO7P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(34-2)27-35-25-28(31)26-37-38(32,33)36-24-23-30/h28-29,31H,3-27,30H2,1-2H3,(H,32,33)/t28-,29?/m1/s1
InChIKey
ZICABLDJCUZOBG-FICMROCWSA-N
Compound name
2-aminoethyl [(2R)-2-hydroxy-3-(2-methoxytricosoxy)propyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

567.4264 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 568.43368 244.4
[M+Na]+ 590.41562 246.2
[M-H]- 566.41912 234.3
[M+NH4]+ 585.46022 243.3
[M+K]+ 606.38956 244.3
[M+H-H2O]+ 550.42366 233.3
[M+HCOO]- 612.42460 246.8
[M+CH3COO]- 626.44025 256.2
[M+Na-2H]- 588.40107 225.0
[M]+ 567.42585 238.8
[M]- 567.42695 238.8
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.