CID 5313284

Pc(16:1(9z)/18:4(6z,9z,12z,15z))

Structural Information

Molecular Formula
C42H75NO8P
SMILES
CCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCC/C=C\C/C=C\C/C=C\C/C=C\CC
InChI
InChI=1S/C42H74NO8P/c1-6-8-10-12-14-16-18-20-21-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-22-19-17-15-13-11-9-7-2/h8,10,14,16-17,19-21,25,27,40H,6-7,9,11-13,15,18,22-24,26,28-39H2,1-5H3/p+1/b10-8-,16-14-,19-17-,21-20-,27-25-/t40-/m1/s1
InChIKey
ZNSRWHZSOOOECB-IHLJWWGMSA-O
Compound name
2-[[(2R)-3-[(Z)-hexadec-9-enoyl]oxy-2-[(6Z,9Z,12Z,15Z)-octadeca-6,9,12,15-tetraenoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

752.523 Da
Monoisotopic Mass

10.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.53028 279.0
[M+Na]+ 775.51222 283.2
[M-H]- 751.51572 276.1
[M+NH4]+ 770.55682 288.6
[M+K]+ 791.48616 284.1
[M+H-H2O]+ 735.52026 264.3
[M+HCOO]- 797.52120 287.5
[M+CH3COO]- 811.53685 281.8
[M+Na-2H]- 773.49767 259.9
[M]+ 752.52245 276.6
[M]- 752.52355 276.6
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.