CID 86289619
Chebi:78656
Structural Information
- Molecular Formula
- C36H75N2O7P
- SMILES
- CCCCCCCCCCCCCCCC(=O)N[C@@H](COP(=O)(O)OCCN)[C@@H]([C@@H](CCCCCCCCCCCCCC)O)O
- InChI
- InChI=1S/C36H75N2O7P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-35(40)38-33(32-45-46(42,43)44-31-30-37)36(41)34(39)28-26-24-22-20-18-16-14-12-10-8-6-4-2/h33-34,36,39,41H,3-32,37H2,1-2H3,(H,38,40)(H,42,43)/t33-,34+,36-/m0/s1
- InChIKey
- JDUVQRDXHABMAD-LFBNJJMOSA-N
- Compound name
- 2-aminoethyl [(2S,3S,4R)-2-(hexadecanoylamino)-3,4-dihydroxyoctadecyl] hydrogen phosphate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 679.53848 | 266.7 |
[M+Na]+ | 701.52042 | 268.7 |
[M-H]- | 677.52392 | 259.4 |
[M+NH4]+ | 696.56502 | 265.6 |
[M+K]+ | 717.49436 | 269.4 |
[M+H-H2O]+ | 661.52846 | 253.8 |
[M+HCOO]- | 723.52940 | 258.6 |
[M+CH3COO]- | 737.54505 | 278.7 |
[M+Na-2H]- | 699.50587 | 245.2 |
[M]+ | 678.53065 | 257.9 |
[M]- | 678.53175 | 257.9 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.