CID 52922498

Pc(17:0/19:0)

Structural Information

Molecular Formula
C44H89NO8P
SMILES
CCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C44H88NO8P/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-44(47)53-42(41-52-54(48,49)51-39-38-45(3,4)5)40-50-43(46)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h42H,6-41H2,1-5H3/p+1/t42-/m1/s1
InChIKey
YTOAPAUFDPDITM-HUESYALOSA-O
Compound name
2-[[(2R)-3-heptadecanoyloxy-2-nonadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

790.63257 Da
Monoisotopic Mass

15.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 791.63985 295.9
[M+Na]+ 813.62179 296.7
[M-H]- 789.62529 288.1
[M+NH4]+ 808.66639 303.8
[M+K]+ 829.59573 300.7
[M+H-H2O]+ 773.62983 280.7
[M+HCOO]- 835.63077 299.4
[M+CH3COO]- 849.64642 294.2
[M+Na-2H]- 811.60724 273.3
[M]+ 790.63202 294.6
[M]- 790.63312 294.6
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.