CID 52924522
Pe(19:1(9z)/22:2(13z,16z))
Structural Information
- Molecular Formula
- C46H86NO8P
- SMILES
- CCCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC/C=C\C/C=C\CCCCC
- InChI
- InChI=1S/C46H86NO8P/c1-3-5-7-9-11-13-15-17-19-21-22-23-25-27-29-31-33-35-37-39-46(49)55-44(43-54-56(50,51)53-41-40-47)42-52-45(48)38-36-34-32-30-28-26-24-20-18-16-14-12-10-8-6-4-2/h11,13,17,19-20,24,44H,3-10,12,14-16,18,21-23,25-43,47H2,1-2H3,(H,50,51)/b13-11-,19-17-,24-20-/t44-/m1/s1
- InChIKey
- CQZSLMKUHUBYCT-FPKLAGQKSA-N
- Compound name
- [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[(Z)-nonadec-9-enoyl]oxypropan-2-yl] (13Z,16Z)-docosa-13,16-dienoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 812.61641 | 293.5 |
[M+Na]+ | 834.59835 | 296.4 |
[M-H]- | 810.60185 | 283.6 |
[M+NH4]+ | 829.64295 | 298.4 |
[M+K]+ | 850.57229 | 299.6 |
[M+H-H2O]+ | 794.60639 | 282.9 |
[M+HCOO]- | 856.60733 | 292.7 |
[M+CH3COO]- | 870.62298 | 300.5 |
[M+Na-2H]- | 832.58380 | 270.8 |
[M]+ | 811.60858 | 290.1 |
[M]- | 811.60968 | 290.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.