CID 52925150

Lysope(15:0/0:0)

Structural Information

Molecular Formula
C20H42NO7P
SMILES
CCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C20H42NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20(23)26-17-19(22)18-28-29(24,25)27-16-15-21/h19,22H,2-18,21H2,1H3,(H,24,25)/t19-/m1/s1
InChIKey
FGHPDPYCRTXYNZ-LJQANCHMSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] pentadecanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3
Patents

439.2699 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27718 209.9
[M+Na]+ 462.25912 214.0
[M-H]- 438.26262 204.1
[M+NH4]+ 457.30372 209.5
[M+K]+ 478.23306 207.8
[M+H-H2O]+ 422.26716 200.1
[M+HCOO]- 484.26810 216.8
[M+CH3COO]- 498.28375 229.1
[M+Na-2H]- 460.24457 195.2
[M]+ 439.26935 204.4
[M]- 439.27045 204.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe