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

7
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

patents stripe