CID 70699029
Pe-cer(d15:2(4e,6e)/24:0)
Structural Information
- Molecular Formula
- C41H81N2O6P
- SMILES
- CCCCCCCCCCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCCN)[C@@H](/C=C/C=C/CCCCCCCC)O
- InChI
- InChI=1S/C41H81N2O6P/c1-3-5-7-9-11-13-15-16-17-18-19-20-21-22-23-24-25-27-29-31-33-35-41(45)43-39(38-49-50(46,47)48-37-36-42)40(44)34-32-30-28-26-14-12-10-8-6-4-2/h28,30,32,34,39-40,44H,3-27,29,31,33,35-38,42H2,1-2H3,(H,43,45)(H,46,47)/b30-28+,34-32+/t39-,40+/m0/s1
- InChIKey
- LPHRWLUYWAIZCU-ORRFTQGBSA-N
- Compound name
- 2-aminoethyl [(2S,3R,4E,6E)-3-hydroxy-2-(tetracosanoylamino)pentadeca-4,6-dienyl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 729.59053 | 278.0 |
[M+Na]+ | 751.57247 | 281.5 |
[M-H]- | 727.57597 | 268.9 |
[M+NH4]+ | 746.61707 | 277.6 |
[M+K]+ | 767.54641 | 282.9 |
[M+H-H2O]+ | 711.58051 | 265.3 |
[M+HCOO]- | 773.58145 | 273.9 |
[M+CH3COO]- | 787.59710 | 289.5 |
[M+Na-2H]- | 749.55792 | 256.0 |
[M]+ | 728.58270 | 269.8 |
[M]- | 728.58380 | 269.8 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.