CID 86289359

1-o-palmityl-2-desoxy-2-amino-sn-glycero-3-phosphate(1-)

Structural Information

Molecular Formula
C19H42NO5P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)O)N
InChI
InChI=1S/C19H42NO5P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-17-19(20)18-25-26(21,22)23/h19H,2-18,20H2,1H3,(H2,21,22,23)/t19-/m1/s1
InChIKey
NUFRVARDGMBEFJ-LJQANCHMSA-N
Compound name
[(2R)-2-amino-3-hexadecoxypropyl] dihydrogen phosphate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.28006 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.28734 208.1
[M+Na]+ 418.26928 207.9
[M-H]- 394.27278 194.7
[M+NH4]+ 413.31388 200.0
[M+K]+ 434.24322 204.7
[M+H-H2O]+ 378.27732 198.4
[M+HCOO]- 440.27826 212.5
[M+CH3COO]- 454.29391 222.8
[M+Na-2H]- 416.25473 203.0
[M]+ 395.27951 198.0
[M]- 395.28061 198.0
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.