CID 91666401

N-hexadecanoyl-sn-glycero-3-phosphoethanolamine(1-)

Structural Information

Molecular Formula
C21H44NO7P
SMILES
CCCCCCCCCCCCCCCC(=O)NCCOP(=O)(O)OC[C@@H](CO)O
InChI
InChI=1S/C21H44NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-21(25)22-16-17-28-30(26,27)29-19-20(24)18-23/h20,23-24H,2-19H2,1H3,(H,22,25)(H,26,27)/t20-/m1/s1
InChIKey
FIXMIXZULLAMCB-HXUWFJFHSA-N
Compound name
[(2R)-2,3-dihydroxypropyl] 2-(hexadecanoylamino)ethyl hydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.28555 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.29283 217.0
[M+Na]+ 476.27477 221.5
[M+NH4]+ 471.31937 220.1
[M+K]+ 492.24871 217.7
[M-H]- 452.27827 210.7
[M+Na-2H]- 474.26022 221.3
[M]+ 453.28500 215.7
[M]- 453.28610 215.7
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.