CID 52922616

Pc(17:2(9z,12z)/19:1(9z))

Structural Information

Molecular Formula
C44H83NO8P
SMILES
CCCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\C/C=C\CCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h13,15,19,21-23,42H,6-12,14,16-18,20,24-41H2,1-5H3/p+1/b15-13-,21-19-,23-22-/t42-/m1/s1
InChIKey
TVKORGJVTUZAER-ZAVREOAZSA-O
Compound name
2-[[(2R)-3-[(9Z,12Z)-heptadeca-9,12-dienoyl]oxy-2-[(Z)-nonadec-9-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

784.58563 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 785.59291 289.3
[M+Na]+ 807.57485 291.9
[M-H]- 783.57835 283.9
[M+NH4]+ 802.61945 298.1
[M+K]+ 823.54879 294.5
[M+H-H2O]+ 767.58289 274.3
[M+HCOO]- 829.58383 295.3
[M+CH3COO]- 843.59948 290.0
[M+Na-2H]- 805.56030 268.3
[M]+ 784.58508 287.4
[M]- 784.58618 287.4
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.