CID 134159863
Ps(dime(11,5)/monome(11,3))
Structural Information
- Molecular Formula
- C47H80NO12P
- SMILES
- CCCCCC1=C(C(=C(O1)CCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCC2=C(C=C(O2)CCC)C)C)C
- InChI
- InChI=1S/C47H80NO12P/c1-6-8-21-28-43-37(4)38(5)44(60-43)29-23-18-14-10-11-15-19-24-30-45(49)55-33-40(34-56-61(53,54)57-35-41(48)47(51)52)59-46(50)31-25-20-16-12-9-13-17-22-27-42-36(3)32-39(58-42)26-7-2/h32,40-41H,6-31,33-35,48H2,1-5H3,(H,51,52)(H,53,54)
- InChIKey
- RRAYFVZXQUJIPM-UHFFFAOYSA-N
- Compound name
- 2-amino-3-[[3-[11-(3,4-dimethyl-5-pentylfuran-2-yl)undecanoyloxy]-2-[11-(3-methyl-5-propylfuran-2-yl)undecanoyloxy]propoxy]-hydroxyphosphoryl]oxypropanoic acid
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 882.54908 | 292.4 |
[M+Na]+ | 904.53102 | 294.3 |
[M+NH4]+ | 899.57562 | 297.0 |
[M+K]+ | 920.50496 | 296.0 |
[M-H]- | 880.53452 | 287.5 |
[M+Na-2H]- | 902.51647 | 292.0 |
[M]+ | 881.54125 | 292.5 |
[M]- | 881.54235 | 292.5 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.