CID 135563694

Chebi:142749

Structural Information

Molecular Formula
C33H67NO9P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OC(=O)CCCCCCCCO
InChI
InChI=1S/C33H66NO9P/c1-5-6-7-8-9-10-11-12-13-14-15-18-21-24-32(36)40-29-31(30-42-44(38,39)41-28-26-34(2,3)4)43-33(37)25-22-19-16-17-20-23-27-35/h31,35H,5-30H2,1-4H3/p+1/t31-/m1/s1
InChIKey
RELSMTOEBYVLCG-WJOKGBTCSA-O
Compound name
2-[[(2R)-3-hexadecanoyloxy-2-(9-hydroxynonanoyloxy)propoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

652.4553 Da
Monoisotopic Mass

8.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 653.46258 260.4
[M+Na]+ 675.44452 261.7
[M-H]- 651.44802 256.9
[M+NH4]+ 670.48912 266.9
[M+K]+ 691.41846 261.0
[M+H-H2O]+ 635.45256 245.3
[M+HCOO]- 697.45350 266.5
[M+CH3COO]- 711.46915 264.1
[M+Na-2H]- 673.42997 241.3
[M]+ 652.45475 257.7
[M]- 652.45585 257.7
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.