CID 131822605

[(2r)-2,3-bis[(22-methyltricosanoyl)oxy]propoxy]phosphonic acid

Structural Information

Molecular Formula
C51H101O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C51H101O8P/c1-47(2)41-37-33-29-25-21-17-13-9-5-7-11-15-19-23-27-31-35-39-43-50(52)57-45-49(46-58-60(54,55)56)59-51(53)44-40-36-32-28-24-20-16-12-8-6-10-14-18-22-26-30-34-38-42-48(3)4/h47-49H,5-46H2,1-4H3,(H2,54,55,56)/t49-/m1/s1
InChIKey
KDLORLVLUHSHGM-ANFMRNGASA-N
Compound name
[(2R)-2-(22-methyltricosanoyloxy)-3-phosphonooxypropyl] 22-methyltricosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

872.7234 Da
Monoisotopic Mass

21.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 873.73068 311.5
[M+Na]+ 895.71262 310.9
[M-H]- 871.71612 298.1
[M+NH4]+ 890.75722 318.4
[M+K]+ 911.68656 320.0
[M+H-H2O]+ 855.72066 301.8
[M+HCOO]- 917.72160 302.6
[M+CH3COO]- 931.73725 310.6
[M+Na-2H]- 893.69807 286.6
[M]+ 872.72285 312.1
[M]- 872.72395 312.1
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.