CID 53479436

Phosphatidylcholine(24:0/15:0)

Structural Information

Molecular Formula
C48H97NO8P
SMILES
CCCCCCCCCCCCCCCCCCCCCCCC(=O)OC[C@](C)(COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCCCCCCC
InChI
InChI=1S/C48H96NO8P/c1-7-9-11-13-15-17-19-21-22-23-24-25-26-27-28-29-31-32-34-36-38-40-46(50)54-44-48(3,45-56-58(52,53)55-43-42-49(4,5)6)57-47(51)41-39-37-35-33-30-20-18-16-14-12-10-8-2/h7-45H2,1-6H3/p+1/t48-/m1/s1
InChIKey
KAHAVUOANNJTSI-QSCHNALKSA-O
Compound name
2-[hydroxy-[(2R)-2-methyl-2-pentadecanoyloxy-3-tetracosanoyloxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

846.6952 Da
Monoisotopic Mass

17.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 847.70248 307.5
[M+Na]+ 869.68442 308.4
[M+NH4]+ 864.72902 312.3
[M+K]+ 885.65836 312.4
[M-H]- 845.68792 301.6
[M+Na-2H]- 867.66987 293.4
[M]+ 846.69465 306.9
[M]- 846.69575 306.9
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.