CID 171116400

N-stearoyl-o-phosphocholineserine

Structural Information

Molecular Formula
C26H54N2O7P
SMILES
CCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCC[N+](C)(C)C)C(=O)O
InChI
InChI=1S/C26H53N2O7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25(29)27-24(26(30)31)23-35-36(32,33)34-22-21-28(2,3)4/h24H,5-23H2,1-4H3,(H2-,27,29,30,31,32,33)/p+1/t24-/m0/s1
InChIKey
NQXMEDBXQWPVCH-DEOSSOPVSA-O
Compound name
2-[[(2S)-2-carboxy-2-(octadecanoylamino)ethoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

537.3669 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 538.37418 236.8
[M+Na]+ 560.35612 241.4
[M-H]- 536.35962 236.7
[M+NH4]+ 555.40072 241.1
[M+K]+ 576.33006 237.0
[M+H-H2O]+ 520.36416 221.2
[M+HCOO]- 582.36510 243.9
[M+CH3COO]- 596.38075 246.7
[M+Na-2H]- 558.34157 220.9
[M]+ 537.36635 230.9
[M]- 537.36745 230.9
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.