CID 52923911

Pc(p-16:0/20:5(5z,8z,11z,14z,17z))

Structural Information

Molecular Formula
C44H79NO7P
SMILES
CCCCCCCCCCCCCC/C=C\OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\C/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C44H78NO7P/c1-6-8-10-12-14-16-18-20-22-23-24-25-27-29-31-33-35-37-44(46)52-43(42-51-53(47,48)50-40-38-45(3,4)5)41-49-39-36-34-32-30-28-26-21-19-17-15-13-11-9-7-2/h8,10,14,16,20,22,24-25,29,31,36,39,43H,6-7,9,11-13,15,17-19,21,23,26-28,30,32-35,37-38,40-42H2,1-5H3/p+1/b10-8-,16-14-,22-20-,25-24-,31-29-,39-36-/t43-/m1/s1
InChIKey
OEZJTMNFEIOILN-ACTKFRKUSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-1-enoxy]-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

764.5594 Da
Monoisotopic Mass

12.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 765.56668 282.7
[M+Na]+ 787.54862 285.5
[M+NH4]+ 782.59322 256.7
[M+K]+ 803.52256 292.3
[M-H]- 763.55212 277.2
[M+Na-2H]- 785.53407 271.0
[M]+ 764.55885 283.0
[M]- 764.55995 283.0
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.