CID 171120945

Pe(14:0(13me)/0:0)

Structural Information

Molecular Formula
C20H42NO7P
SMILES
CC(C)CCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C20H42NO7P/c1-18(2)12-10-8-6-4-3-5-7-9-11-13-20(23)26-16-19(22)17-28-29(24,25)27-15-14-21/h18-19,22H,3-17,21H2,1-2H3,(H,24,25)/t19-/m1/s1
InChIKey
OTLGIBROBHTAHD-LJQANCHMSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] 13-methyltetradecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.2699 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.27718 209.0
[M+Na]+ 462.25912 213.7
[M-H]- 438.26262 204.8
[M+NH4]+ 457.30372 210.3
[M+K]+ 478.23306 208.1
[M+H-H2O]+ 422.26716 199.8
[M+HCOO]- 484.26810 213.6
[M+CH3COO]- 498.28375 229.9
[M+Na-2H]- 460.24457 195.0
[M]+ 439.26935 203.8
[M]- 439.27045 203.8
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.