CID 53480790

Pc(p-18:1(9z)/14:1(9z))

Structural Information

Molecular Formula
C40H77NO7P
SMILES
CCCCCCCC/C=C\CCCCCC/C=C\OCC(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCC/C=C\CCCC
InChI
InChI=1S/C40H76NO7P/c1-6-8-10-12-14-16-18-19-20-21-22-24-26-28-30-32-35-45-37-39(38-47-49(43,44)46-36-34-41(3,4)5)48-40(42)33-31-29-27-25-23-17-15-13-11-9-7-2/h13,15,19-20,32,35,39H,6-12,14,16-18,21-31,33-34,36-38H2,1-5H3/p+1/b15-13-,20-19-,35-32-
InChIKey
HBSHQXCUTWXTCM-WLTDODEOSA-O
Compound name
2-[hydroxy-[3-[(1Z,9Z)-octadeca-1,9-dienoxy]-2-[(Z)-tetradec-9-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

714.54376 Da
Monoisotopic Mass

12.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 715.55104 276.5
[M+Na]+ 737.53298 279.2
[M+NH4]+ 732.57758 249.9
[M+K]+ 753.50692 285.0
[M-H]- 713.53648 270.7
[M+Na-2H]- 735.51843 265.1
[M]+ 714.54321 276.6
[M]- 714.54431 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.