CID 52922323

Pc(15:0/20:0)

Structural Information

Molecular Formula
C43H87NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C43H86NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-26-28-30-32-34-36-43(46)52-41(40-51-53(47,48)50-38-37-44(3,4)5)39-49-42(45)35-33-31-29-27-25-19-17-15-13-11-9-7-2/h41H,6-40H2,1-5H3/p+1/t41-/m1/s1
InChIKey
OUQNLKQTFDIKCN-VQJSHJPSSA-O
Compound name
2-[hydroxy-[(2R)-2-icosanoyloxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

776.61694 Da
Monoisotopic Mass

15.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 777.62422 292.7
[M+Na]+ 799.60616 293.6
[M-H]- 775.60966 285.2
[M+NH4]+ 794.65076 300.6
[M+K]+ 815.58010 297.2
[M+H-H2O]+ 759.61420 277.6
[M+HCOO]- 821.61514 296.6
[M+CH3COO]- 835.63079 291.6
[M+Na-2H]- 797.59161 270.5
[M]+ 776.61639 291.3
[M]- 776.61749 291.3
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.