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

compound 2d structure
1
Annotation Hits

0
References

0
Patents

678.5312 Da
Monoisotopic Mass

8.4
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.