CID 52923478

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

Structural Information

Molecular Formula
C52H103NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCCCCCC
InChI
InChI=1S/C52H102NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40-42-44-51(54)58-48-50(49-60-62(56,57)59-47-46-53(3,4)5)61-52(55)45-43-41-39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h25,27,50H,6-24,26,28-49H2,1-5H3/p+1/b27-25-/t50-/m1/s1
InChIKey
MCCQMHQJFVAIOP-RXQRVFRESA-O
Compound name
2-[[(2R)-3-docosanoyloxy-2-[(Z)-docos-11-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

900.7421 Da
Monoisotopic Mass

19.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 901.74938 318.2
[M+Na]+ 923.73132 318.1
[M-H]- 899.73482 308.2
[M+NH4]+ 918.77592 326.4
[M+K]+ 939.70526 325.1
[M+H-H2O]+ 883.73936 302.4
[M+HCOO]- 945.74030 319.6
[M+CH3COO]- 959.75595 313.2
[M+Na-2H]- 921.71677 293.2
[M]+ 900.74155 317.7
[M]- 900.74265 317.7
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.