CID 134812334

P-isopgj2-pc

Structural Information

Molecular Formula
C44H79NO10P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\CC1C=CC(=O)C1/C=C/C(CCCCC)O
InChI
InChI=1S/C44H78NO10P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(48)52-36-40(37-54-56(50,51)53-35-34-45(3,4)5)55-44(49)29-25-21-20-23-26-38-30-33-42(47)41(38)32-31-39(46)27-22-9-7-2/h20,23,30-33,38-41,46H,6-19,21-22,24-29,34-37H2,1-5H3/p+1/b23-20-,32-31+/t38?,39?,40-,41?/m1/s1
InChIKey
RIIMLTBQMOKAFK-HNKMUWAQSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-[(Z)-7-[5-[(E)-3-hydroxyoct-1-enyl]-4-oxocyclopent-2-en-1-yl]hept-5-enoyl]oxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

812.5442 Da
Monoisotopic Mass

10.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 813.55148 285.2
[M+Na]+ 835.53342 289.6
[M-H]- 811.53692 284.0
[M+NH4]+ 830.57802 295.9
[M+K]+ 851.50736 289.5
[M+H-H2O]+ 795.54146 271.4
[M+HCOO]- 857.54240 291.4
[M+CH3COO]- 871.55805 291.1
[M+Na-2H]- 833.51887 264.3
[M]+ 812.54365 284.1
[M]- 812.54475 284.1
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.