CID 9547069

1-hexadecanoyl-sn-glycero-3-phosphoethanolamine

Structural Information

Molecular Formula
C21H44NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(24)27-18-20(23)19-29-30(25,26)28-17-16-22/h20,23H,2-19,22H2,1H3,(H,25,26)/t20-/m1/s1
InChIKey
YVYMBNSKXOXSKW-HXUWFJFHSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

300
Patents

453.28555 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.29283 214.4
[M+Na]+ 476.27477 218.9
[M+NH4]+ 471.31937 218.0
[M+K]+ 492.24871 215.4
[M-H]- 452.27827 207.9
[M+Na-2H]- 474.26022 218.9
[M]+ 453.28500 213.2
[M]- 453.28610 213.2
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