CID 5313617

Pc(20:0/9:0)

Structural Information

Molecular Formula
C37H75NO8P
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC
InChI
InChI=1S/C37H74NO8P/c1-6-8-10-12-14-15-16-17-18-19-20-21-22-23-24-26-27-29-36(39)43-33-35(46-37(40)30-28-25-13-11-9-7-2)34-45-47(41,42)44-32-31-38(3,4)5/h35H,6-34H2,1-5H3/p+1/t35-/m1/s1
InChIKey
YTMYGNSSWREFBW-PGUFJCEWSA-O
Compound name
2-[hydroxy-[(2R)-3-icosanoyloxy-2-nonanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

692.523 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.53028 272.6
[M+Na]+ 715.51222 275.4
[M+NH4]+ 710.55682 248.9
[M+K]+ 731.48616 280.5
[M-H]- 691.51572 266.9
[M+Na-2H]- 713.49767 261.5
[M]+ 692.52245 272.8
[M]- 692.52355 272.8
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

patents stripe