CID 5313789

Pc(34:0/16:0)

Structural Information

Molecular Formula
C58H117NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C58H116NO8P/c1-6-8-10-12-14-16-18-20-21-22-23-24-25-26-27-28-29-30-31-32-33-34-35-36-37-39-40-42-44-46-48-50-57(60)64-54-56(55-66-68(62,63)65-53-52-59(3,4)5)67-58(61)51-49-47-45-43-41-38-19-17-15-13-11-9-7-2/h56H,6-55H2,1-5H3/p+1/t56-/m1/s1
InChIKey
JWUPPWAREFIPKZ-LXXIDKMWSA-O
Compound name
2-[[(2R)-2-hexadecanoyloxy-3-tetratriacontanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

986.8517 Da
Monoisotopic Mass

23.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 987.85898 338.0
[M+Na]+ 1009.8409 336.3
[M-H]- 985.84442 325.0
[M+NH4]+ 1004.8855 345.9
[M+K]+ 1025.8149 346.2
[M+H-H2O]+ 969.84896 321.7
[M+HCOO]- 1031.8499 336.4
[M+CH3COO]- 1045.8656 328.9
[M+Na-2H]- 1007.8264 310.5
[M]+ 986.85115 338.6
[M]- 986.85225 338.6
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

patents stripe