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 216.9
[M+Na]+ 476.27477 219.9
[M-H]- 452.27827 210.8
[M+NH4]+ 471.31937 215.2
[M+K]+ 492.24871 214.6
[M+H-H2O]+ 436.28281 206.2
[M+HCOO]- 498.28375 222.4
[M+CH3COO]- 512.29940 230.2
[M+Na-2H]- 474.26022 200.9
[M]+ 453.28500 211.0
[M]- 453.28610 211.0
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.