CID 169445598

N-palmitoyl-o-phosphocholine serine

Structural Information

Molecular Formula
C24H50N2O7P
SMILES
CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)C(=O)O
InChI
InChI=1S/C24H49N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(27)25-22(24(28)29)21-33-34(30,31)32-20-19-26(2,3)4/h22H,5-21H2,1-4H3,(H2-,25,27,28,29,30,31)/p+1/t22-/m0/s1
InChIKey
HGJMMMCMCUAOFS-QFIPXVFZSA-O
Compound name
2-[[(2S)-2-carboxy-2-(hexadecanoylamino)ethoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

509.33557 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 510.34285 229.8
[M+Na]+ 532.32479 234.7
[M-H]- 508.32829 230.4
[M+NH4]+ 527.36939 234.1
[M+K]+ 548.29873 229.6
[M+H-H2O]+ 492.33283 214.4
[M+HCOO]- 554.33377 237.6
[M+CH3COO]- 568.34942 241.0
[M+Na-2H]- 530.31024 214.8
[M]+ 509.33502 223.9
[M]- 509.33612 223.9
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.