CID 131822321

Pa(22:0/a-17:0)

Structural Information

Molecular Formula
C42H83O8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCC(C)CC
InChI
InChI=1S/C42H83O8P/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-29-32-35-41(43)48-37-40(38-49-51(45,46)47)50-42(44)36-33-30-27-24-21-20-22-25-28-31-34-39(3)5-2/h39-40H,4-38H2,1-3H3,(H2,45,46,47)/t39?,40-/m1/s1
InChIKey
JCSBXUIQZOJKBV-DHPKCYQYSA-N
Compound name
[(2R)-2-(14-methylhexadecanoyloxy)-3-phosphonooxypropyl] docosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

746.5826 Da
Monoisotopic Mass

16.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.58988 286.4
[M+Na]+ 769.57182 286.4
[M+NH4]+ 764.61642 291.1
[M+K]+ 785.54576 287.8
[M-H]- 745.57532 274.0
[M+Na-2H]- 767.55727 284.1
[M]+ 746.58205 283.9
[M]- 746.58315 283.9
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.