CID 52923841

Pc(o-20:0/19:0)

Structural Information

Molecular Formula
C47H97NO7P
SMILES
CCCCCCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCCCCCC
InChI
InChI=1S/C47H96NO7P/c1-6-8-10-12-14-16-18-20-22-24-25-27-29-31-33-35-37-39-42-52-44-46(45-54-56(50,51)53-43-41-48(3,4)5)55-47(49)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
IXTPFVGINJHUNS-YACUFSJGSA-O
Compound name
2-[hydroxy-[(2R)-3-icosoxy-2-nonadecanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

818.70026 Da
Monoisotopic Mass

17.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 819.70754 306.1
[M+Na]+ 841.68948 305.7
[M-H]- 817.69298 294.1
[M+NH4]+ 836.73408 311.3
[M+K]+ 857.66342 311.0
[M+H-H2O]+ 801.69752 289.8
[M+HCOO]- 863.69846 310.2
[M+CH3COO]- 877.71411 301.5
[M+Na-2H]- 839.67493 281.5
[M]+ 818.69971 304.3
[M]- 818.70081 304.3
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.