CID 52922980

Pc(19:0/21:0)

Structural Information

Molecular Formula
C48H97NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCCCCC)COP(=O)(O)OCC[N+](C)(C)C
InChI
InChI=1S/C48H96NO8P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-41-48(51)57-46(45-56-58(52,53)55-43-42-49(3,4)5)44-54-47(50)40-38-36-34-32-30-28-26-23-21-19-17-15-13-11-9-7-2/h46H,6-45H2,1-5H3/p+1/t46-/m1/s1
InChIKey
ZRVRHMJXXGSWFO-YACUFSJGSA-O
Compound name
2-[[(2R)-2-henicosanoyloxy-3-nonadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

846.6952 Da
Monoisotopic Mass

17.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.70248 308.4
[M+Na]+ 869.68442 308.4
[M-H]- 845.68792 299.1
[M+NH4]+ 864.72902 316.3
[M+K]+ 885.65836 314.2
[M+H-H2O]+ 829.69246 292.9
[M+HCOO]- 891.69340 310.4
[M+CH3COO]- 905.70905 304.4
[M+Na-2H]- 867.66987 284.4
[M]+ 846.69465 307.5
[M]- 846.69575 307.5
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.