CID 171119226

Am-lpe(16:0/0:0)

Structural Information

Molecular Formula
C27H54NO12P
SMILES
CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCNC[C@@]1([C@H]([C@@H]([C@@H](CO1)O)O)O)O)O
InChI
InChI=1S/C27H54NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24(31)37-18-22(29)19-40-41(35,36)39-17-16-28-21-27(34)26(33)25(32)23(30)20-38-27/h22-23,25-26,28-30,32-34H,2-21H2,1H3,(H,35,36)/t22-,23-,25-,26+,27-/m1/s1
InChIKey
ICZRLYKHIUBMNK-ZNZBEBECSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]ethoxy]phosphoryl]oxypropyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

615.3384 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 616.34568 242.9
[M+Na]+ 638.32762 242.1
[M-H]- 614.33112 240.5
[M+NH4]+ 633.37222 239.9
[M+K]+ 654.30156 237.6
[M+H-H2O]+ 598.33566 231.5
[M+HCOO]- 660.33660 250.0
[M+CH3COO]- 674.35225 254.1
[M+Na-2H]- 636.31307 222.0
[M]+ 615.33785 235.9
[M]- 615.33895 235.9
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.