CID 52922259

Pc(14:1(9z)/17:2(9z,12z))

Structural Information

Molecular Formula
C39H73NO8P
SMILES
CCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\C/C=C\CCCC
InChI
InChI=1S/C39H72NO8P/c1-6-8-10-12-14-16-18-19-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40(3,4)5)35-45-38(41)31-29-27-25-23-21-17-15-13-11-9-7-2/h12-15,18-19,37H,6-11,16-17,20-36H2,1-5H3/p+1/b14-12-,15-13-,19-18-/t37-/m1/s1
InChIKey
DZQITBMKHIUQGP-HCZPJJGMSA-O
Compound name
2-[[(2R)-2-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-3-[(Z)-tetradec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

714.5074 Da
Monoisotopic Mass

10.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.51468 273.1
[M+Na]+ 737.49662 276.7
[M-H]- 713.50012 269.7
[M+NH4]+ 732.54122 282.1
[M+K]+ 753.47056 277.2
[M+H-H2O]+ 697.50466 258.7
[M+HCOO]- 759.50560 281.2
[M+CH3COO]- 773.52125 276.6
[M+Na-2H]- 735.48207 254.2
[M]+ 714.50685 270.9
[M]- 714.50795 270.9
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.