CID 52924252

Pe(17:0/19:1(9z))

Structural Information

Molecular Formula
C41H80NO8P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCCC
InChI
InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-41(44)50-39(38-49-51(45,46)48-36-35-42)37-47-40(43)33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2/h19-20,39H,3-18,21-38,42H2,1-2H3,(H,45,46)/b20-19-/t39-/m1/s1
InChIKey
JNZINHKNYKXFJX-DPTAKULKSA-N
Compound name
[(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-heptadecanoyloxypropan-2-yl] (Z)-nonadec-9-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

745.56213 Da
Monoisotopic Mass

11.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 746.56941 282.0
[M+Na]+ 768.55135 284.5
[M-H]- 744.55485 272.3
[M+NH4]+ 763.59595 286.3
[M+K]+ 784.52529 286.6
[M+H-H2O]+ 728.55939 271.7
[M+HCOO]- 790.56033 281.4
[M+CH3COO]- 804.57598 289.7
[M+Na-2H]- 766.53680 260.2
[M]+ 745.56158 278.4
[M]- 745.56268 278.4
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.