CID 162640020

Chebi:189703

Structural Information

Molecular Formula
C24H48NO8P
SMILES
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC=O
InChI
InChI=1S/C24H48NO8P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24(27)30-20-23(31-22-26)21-33-34(28,29)32-19-18-25/h22-23H,2-21,25H2,1H3,(H,28,29)/t23-/m1/s1
InChIKey
WKSDJJMLDWFISH-HSZRJFAPSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-formyloxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.31177 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.31905 226.5
[M+Na]+ 532.30099 231.0
[M-H]- 508.30449 221.0
[M+NH4]+ 527.34559 229.4
[M+K]+ 548.27493 225.9
[M+H-H2O]+ 492.30903 217.6
[M+HCOO]- 554.30997 234.2
[M+CH3COO]- 568.32562 244.1
[M+Na-2H]- 530.28644 210.8
[M]+ 509.31122 222.4
[M]- 509.31232 222.4
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.