CID 131770215
Pe(monome(9,5)/dime(11,3))
Structural Information
- Molecular Formula
- C44H76NO10P
- SMILES
- CCCCCC1=CC(=C(O1)CCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCCCCCC2=C(C(=C(O2)CCC)C)C)C
- InChI
- InChI=1S/C44H76NO10P/c1-6-8-19-25-38-32-35(3)40(53-38)26-20-15-13-14-17-22-28-43(46)50-33-39(34-52-56(48,49)51-31-30-45)54-44(47)29-23-18-12-10-9-11-16-21-27-42-37(5)36(4)41(55-42)24-7-2/h32,39H,6-31,33-34,45H2,1-5H3,(H,48,49)/t39-/m1/s1
- InChIKey
- BLANZBPGDGJZGJ-LDLOPFEMSA-N
- Compound name
- [(2R)-1-[2-aminoethoxy(hydroxy)phosphoryl]oxy-3-[9-(3-methyl-5-pentylfuran-2-yl)nonanoyloxy]propan-2-yl] 11-(3,4-dimethyl-5-propylfuran-2-yl)undecanoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 810.52798 | 276.7 |
[M+Na]+ | 832.50992 | 288.4 |
[M-H]- | 808.51342 | 274.3 |
[M+NH4]+ | 827.55452 | 287.3 |
[M+K]+ | 848.48386 | 284.6 |
[M+H-H2O]+ | 792.51796 | 274.4 |
[M+HCOO]- | 854.51890 | 291.2 |
[M+CH3COO]- | 868.53455 | 301.6 |
[M+Na-2H]- | 830.49537 | 257.3 |
[M]+ | 809.52015 | 278.2 |
[M]- | 809.52125 | 278.2 |
Literature stripe
Patent stripe
No patent data available for this compound.