CID 131822542

Pa(i-21:0/i-20:0)

Structural Information

Molecular Formula
C44H87O8P
SMILES
CC(C)CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O)OC(=O)CCCCCCCCCCCCCCCCC(C)C
InChI
InChI=1S/C44H87O8P/c1-40(2)34-30-26-22-18-14-10-6-5-7-12-16-20-24-28-32-36-43(45)50-38-42(39-51-53(47,48)49)52-44(46)37-33-29-25-21-17-13-9-8-11-15-19-23-27-31-35-41(3)4/h40-42H,5-39H2,1-4H3,(H2,47,48,49)/t42-/m1/s1
InChIKey
JMSBGQYPUUTUDC-HUESYALOSA-N
Compound name
[(2R)-2-(18-methylnonadecanoyloxy)-3-phosphonooxypropyl] 19-methylicosanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

774.61383 Da
Monoisotopic Mass

17.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 775.62111 289.8
[M+Na]+ 797.60305 290.4
[M-H]- 773.60655 279.1
[M+NH4]+ 792.64765 296.7
[M+K]+ 813.57699 296.6
[M+H-H2O]+ 757.61109 280.7
[M+HCOO]- 819.61203 283.5
[M+CH3COO]- 833.62768 292.9
[M+Na-2H]- 795.58850 267.5
[M]+ 774.61328 289.5
[M]- 774.61438 289.5
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.