CID 52923432

Pc(21:0/22:1(11z))

Structural Information

Molecular Formula
C51H101NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C51H100NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)60-49(48-59-61(55,56)58-46-45-52(3,4)5)47-57-50(53)43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h24,26,49H,6-23,25,27-48H2,1-5H3/p+1/b26-24-/t49-/m1/s1
InChIKey
LDSGYPDHDJWFQE-XXPSLULPSA-O
Compound name
2-[[(2R)-2-[(Z)-docos-11-enoyl]oxy-3-henicosanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

886.7265 Da
Monoisotopic Mass

18.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 887.73378 315.2
[M+Na]+ 909.71572 315.3
[M-H]- 885.71922 305.6
[M+NH4]+ 904.76032 323.4
[M+K]+ 925.68966 321.8
[M+H-H2O]+ 869.72376 299.5
[M+HCOO]- 931.72470 316.9
[M+CH3COO]- 945.74035 310.7
[M+Na-2H]- 907.70117 290.6
[M]+ 886.72595 314.5
[M]- 886.72705 314.5
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.