CID 52925149

Pe(17:0/0:0)

Structural Information

Molecular Formula
C22H46NO7P
SMILES
CCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)O
InChI
InChI=1S/C22H46NO7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23/h21,24H,2-20,23H2,1H3,(H,26,27)/t21-/m1/s1
InChIKey
RVNBVQKDPQVSOY-OAQYLSRUSA-N
Compound name
[(2R)-3-[2-aminoethoxy(hydroxy)phosphoryl]oxy-2-hydroxypropyl] heptadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

467.30118 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.30846 217.1
[M+Na]+ 490.29040 220.9
[M-H]- 466.29390 210.6
[M+NH4]+ 485.33500 216.7
[M+K]+ 506.26434 215.5
[M+H-H2O]+ 450.29844 207.0
[M+HCOO]- 512.29938 223.2
[M+CH3COO]- 526.31503 234.9
[M+Na-2H]- 488.27585 201.5
[M]+ 467.30063 211.5
[M]- 467.30173 211.5
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

No patent data available for this compound.