CID 131769777

N-palmitoyl-phosphoethanolamine

Structural Information

Molecular Formula
C18H38NO5P
SMILES
CCCCCCCCCCCCCCCC(=O)NC(CP(=O)(O)O)O
InChI
InChI=1S/C18H38NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17(20)19-18(21)16-25(22,23)24/h18,21H,2-16H2,1H3,(H,19,20)(H2,22,23,24)
InChIKey
REFUVLFHSVMCAO-UHFFFAOYSA-N
Compound name
[2-(hexadecanoylamino)-2-hydroxyethyl]phosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.24875 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.25603 203.0
[M+Na]+ 402.23797 204.7
[M-H]- 378.24147 193.9
[M+NH4]+ 397.28257 197.1
[M+K]+ 418.21191 199.5
[M+H-H2O]+ 362.24601 194.0
[M+HCOO]- 424.24695 206.8
[M+CH3COO]- 438.26260 217.3
[M+Na-2H]- 400.22342 197.7
[M]+ 379.24820 194.1
[M]- 379.24930 194.1
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.