CID 70699047

Pe-cer(d14:1(4e)/24:0(2oh))

Structural Information

Molecular Formula
C40H81N2O7P
SMILES
CCCCCCCCCCCCCCCCCCCCCCC(C(=O)N[C@@H](COP(=O)(O)OCCN)[C@@H](/C=C/CCCCCCCCC)O)O
InChI
InChI=1S/C40H81N2O7P/c1-3-5-7-9-11-13-14-15-16-17-18-19-20-21-22-23-25-27-29-31-33-39(44)40(45)42-37(36-49-50(46,47)48-35-34-41)38(43)32-30-28-26-24-12-10-8-6-4-2/h30,32,37-39,43-44H,3-29,31,33-36,41H2,1-2H3,(H,42,45)(H,46,47)/b32-30+/t37-,38+,39?/m0/s1
InChIKey
YCYWKFPIZDBKCG-RXLKFOMTSA-N
Compound name
2-aminoethyl [(E,2S,3R)-3-hydroxy-2-(2-hydroxytetracosanoylamino)tetradec-4-enyl] hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

732.5781 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 733.58538 276.6
[M+Na]+ 755.56732 278.6
[M-H]- 731.57082 268.6
[M+NH4]+ 750.61192 275.9
[M+K]+ 771.54126 280.5
[M+H-H2O]+ 715.57536 263.4
[M+HCOO]- 777.57630 267.9
[M+CH3COO]- 791.59195 288.2
[M+Na-2H]- 753.55277 254.2
[M]+ 732.57755 268.1
[M]- 732.57865 268.1
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.