CID 171116398

N-myristoyl-o-phosphocholineserine

Structural Information

Molecular Formula
C22H46N2O7P
SMILES
CCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)C(=O)O
InChI
InChI=1S/C22H45N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-21(25)23-20(22(26)27)19-31-32(28,29)30-18-17-24(2,3)4/h20H,5-19H2,1-4H3,(H2-,23,25,26,27,28,29)/p+1/t20-/m0/s1
InChIKey
DJFJLUJVVXCIPK-FQEVSTJZSA-O
Compound name
2-[[(2S)-2-carboxy-2-(tetradecanoylamino)ethoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.30426 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.31154 222.6
[M+Na]+ 504.29348 228.0
[M-H]- 480.29698 224.0
[M+NH4]+ 499.33808 227.0
[M+K]+ 520.26742 222.0
[M+H-H2O]+ 464.30152 207.5
[M+HCOO]- 526.30246 231.3
[M+CH3COO]- 540.31811 235.2
[M+Na-2H]- 502.27893 208.6
[M]+ 481.30371 216.9
[M]- 481.30481 216.9
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.