CID 53479500

Pc(24:1(15z)/18:1(11z))

Structural Information

Molecular Formula
C50H97NO8P
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCC/C=C\CCCCCC
InChI
InChI=1S/C50H96NO8P/c1-6-8-10-12-14-16-18-20-22-23-24-25-26-27-29-30-32-34-36-38-40-42-49(52)56-46-48(47-58-60(54,55)57-45-44-51(3,4)5)59-50(53)43-41-39-37-35-33-31-28-21-19-17-15-13-11-9-7-2/h17,19-20,22,48H,6-16,18,21,23-47H2,1-5H3/p+1/b19-17-,22-20-/t48-/m1/s1
InChIKey
NHCQXAIWNWQNKC-PRTODFFFSA-O
Compound name
2-[hydroxy-[(2R)-2-[(Z)-octadec-11-enoyl]oxy-3-[(Z)-tetracos-15-enoyl]oxypropoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

870.6952 Da
Monoisotopic Mass

17.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 871.70248 310.0
[M+Na]+ 893.68442 310.9
[M-H]- 869.68792 301.6
[M+NH4]+ 888.72902 318.4
[M+K]+ 909.65836 316.5
[M+H-H2O]+ 853.69246 294.4
[M+HCOO]- 915.69340 312.9
[M+CH3COO]- 929.70905 306.9
[M+Na-2H]- 891.66987 286.2
[M]+ 870.69465 308.9
[M]- 870.69575 308.9
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.