CID 372662

Phosphate-18-oet

Structural Information

Molecular Formula
C23H48NO6P
SMILES
CCCCCCCCCCCCCCCCCC(=O)NCC(COP(=O)(O)O)OCC
InChI
InChI=1S/C23H48NO6P/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(25)24-20-22(29-4-2)21-30-31(26,27)28/h22H,3-21H2,1-2H3,(H,24,25)(H2,26,27,28)
InChIKey
WDPLVKQQISOEKQ-UHFFFAOYSA-N
Compound name
[2-ethoxy-3-(octadecanoylamino)propyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

465.32193 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.32921 222.4
[M+Na]+ 488.31115 226.6
[M-H]- 464.31465 215.3
[M+NH4]+ 483.35575 222.2
[M+K]+ 504.28509 222.1
[M+H-H2O]+ 448.31919 212.5
[M+HCOO]- 510.32013 228.8
[M+CH3COO]- 524.33578 236.3
[M+Na-2H]- 486.29660 206.7
[M]+ 465.32138 217.5
[M]- 465.32248 217.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe