CID 134812338

P-isopgf2-pc

Structural Information

Molecular Formula
C44H83NO11P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCC/C=C\CC1C(CC(C1/C=C/C(CCCCC)O)O)O
InChI
InChI=1S/C44H82NO11P/c1-6-8-10-11-12-13-14-15-16-17-18-19-24-28-43(49)53-35-38(36-55-57(51,52)54-33-32-45(3,4)5)56-44(50)29-25-21-20-23-27-39-40(42(48)34-41(39)47)31-30-37(46)26-22-9-7-2/h20,23,30-31,37-42,46-48H,6-19,21-22,24-29,32-36H2,1-5H3/p+1/b23-20-,31-30+/t37?,38-,39?,40?,41?,42?/m1/s1
InChIKey
NJHGFFOICHJLQM-SMAMXKCCSA-O
Compound name
2-[[(2R)-2-[(Z)-7-[3,5-dihydroxy-2-[(E)-3-hydroxyoct-1-enyl]cyclopentyl]hept-5-enoyl]oxy-3-hexadecanoyloxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

832.5704 Da
Monoisotopic Mass

9.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 833.57768 290.6
[M+Na]+ 855.55962 291.3
[M-H]- 831.56312 288.7
[M+NH4]+ 850.60422 297.1
[M+K]+ 871.53356 292.5
[M+H-H2O]+ 815.56766 274.1
[M+HCOO]- 877.56860 292.7
[M+CH3COO]- 891.58425 291.2
[M+Na-2H]- 853.54507 266.9
[M]+ 832.56985 287.6
[M]- 832.57095 287.6
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.