CID 52922321

Pc(15:0/19:1(9z))

Structural Information

Molecular Formula
C42H83NO8P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C42H82NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-25-27-29-31-33-35-42(45)51-40(39-50-52(46,47)49-37-36-43(3,4)5)38-48-41(44)34-32-30-28-26-24-19-17-15-13-11-9-7-2/h21-22,40H,6-20,23-39H2,1-5H3/p+1/b22-21-/t40-/m1/s1
InChIKey
XOFXLHDPMXNPOR-ZBCYVRFFSA-O
Compound name
2-[hydroxy-[(2R)-2-[(Z)-nonadec-9-enoyl]oxy-3-pentadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

760.58563 Da
Monoisotopic Mass

13.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 761.59291 287.2
[M+Na]+ 783.57485 288.9
[M-H]- 759.57835 280.9
[M+NH4]+ 778.61945 295.4
[M+K]+ 799.54879 291.7
[M+H-H2O]+ 743.58289 272.3
[M+HCOO]- 805.58383 292.3
[M+CH3COO]- 819.59948 287.6
[M+Na-2H]- 781.56030 266.0
[M]+ 760.58508 285.5
[M]- 760.58618 285.5
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.