CID 131820878
Pe-nme(11d5/11d5)
Structural Information
- Molecular Formula
- C50H88NO10P
- SMILES
- CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCCCC)C)C)C)C
- InChI
- InChI=1S/C50H88NO10P/c1-8-10-24-30-45-40(3)42(5)47(60-45)32-26-20-16-12-14-18-22-28-34-49(52)56-38-44(39-58-62(54,55)57-37-36-51-7)59-50(53)35-29-23-19-15-13-17-21-27-33-48-43(6)41(4)46(61-48)31-25-11-9-2/h44,51H,8-39H2,1-7H3,(H,54,55)/t44-/m1/s1
- InChIKey
- HXQQVTOUPVBTOP-USYZEHPZSA-N
- Compound name
- [(2R)-2-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-3-[hydroxy-[2-(methylamino)ethoxy]phosphoryl]oxypropyl] 11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 894.62184 | 301.8 |
[M+Na]+ | 916.60378 | 312.3 |
[M-H]- | 892.60728 | 298.1 |
[M+NH4]+ | 911.64838 | 313.5 |
[M+K]+ | 932.57772 | 311.8 |
[M+H-H2O]+ | 876.61182 | 299.1 |
[M+HCOO]- | 938.61276 | 314.6 |
[M+CH3COO]- | 952.62841 | 318.4 |
[M+Na-2H]- | 914.58923 | 279.9 |
[M]+ | 893.61401 | 304.9 |
[M]- | 893.61511 | 304.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.