CID 52922484

Pc(17:0/16:0)

Structural Information

Molecular Formula
C41H83NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCC
InChI
InChI=1S/C41H82NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42(3,4)5)50-41(44)34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h39H,6-38H2,1-5H3/p+1/t39-/m1/s1
InChIKey
ULRGYXXISKXLRY-LDLOPFEMSA-O
Compound name
2-[[(2R)-3-heptadecanoyloxy-2-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

748.58563 Da
Monoisotopic Mass

14.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 749.59291 286.2
[M+Na]+ 771.57485 287.6
[M-H]- 747.57835 279.5
[M+NH4]+ 766.61945 294.2
[M+K]+ 787.54879 290.3
[M+H-H2O]+ 731.58289 271.3
[M+HCOO]- 793.58383 290.9
[M+CH3COO]- 807.59948 286.3
[M+Na-2H]- 769.56030 264.9
[M]+ 748.58508 284.7
[M]- 748.58618 284.7
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.