CID 171119227

Am-lpe(18:0/0:0)

Structural Information

Molecular Formula
C29H58NO12P
SMILES
CCCCCCCCCCCCCCCCCC(=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/C29H58NO12P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-26(33)39-20-24(31)21-42-43(37,38)41-19-18-30-23-29(36)28(35)27(34)25(32)22-40-29/h24-25,27-28,30-32,34-36H,2-23H2,1H3,(H,37,38)/t24-,25-,27-,28+,29-/m1/s1
InChIKey
CSDPYUQTNPMMNY-PMCIJNRMSA-N
Compound name
[(2R)-2-hydroxy-3-[hydroxy-[2-[[(2R,3S,4R,5R)-2,3,4,5-tetrahydroxyoxan-2-yl]methylamino]ethoxy]phosphoryl]oxypropyl] octadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

643.3697 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 644.37698 249.7
[M+Na]+ 666.35892 248.6
[M-H]- 642.36242 246.6
[M+NH4]+ 661.40352 246.7
[M+K]+ 682.33286 245.0
[M+H-H2O]+ 626.36696 238.2
[M+HCOO]- 688.36790 256.0
[M+CH3COO]- 702.38355 259.6
[M+Na-2H]- 664.34437 228.0
[M]+ 643.36915 242.9
[M]- 643.37025 242.9
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.