CID 131822597

Pa(i-24:0/i-15:0)

Structural Information

Molecular Formula
C42H83O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCC(C)C
InChI
InChI=1S/C42H83O8P/c1-38(2)32-28-24-20-16-13-11-9-7-5-6-8-10-12-14-18-22-26-30-34-41(43)48-36-40(37-49-51(45,46)47)50-42(44)35-31-27-23-19-15-17-21-25-29-33-39(3)4/h38-40H,5-37H2,1-4H3,(H2,45,46,47)/t40-/m1/s1
InChIKey
LCSBOECMSVQQEA-RRHRGVEJSA-N
Compound name
[(2R)-2-(13-methyltetradecanoyloxy)-3-phosphonooxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

746.5826 Da
Monoisotopic Mass

16.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 747.58988 283.4
[M+Na]+ 769.57182 284.3
[M-H]- 745.57532 273.5
[M+NH4]+ 764.61642 290.4
[M+K]+ 785.54576 289.7
[M+H-H2O]+ 729.57986 274.5
[M+HCOO]- 791.58080 277.9
[M+CH3COO]- 805.59645 287.7
[M+Na-2H]- 767.55727 261.9
[M]+ 746.58205 282.8
[M]- 746.58315 282.8
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.