CID 10074521

Chembl479688

Structural Information

Molecular Formula
C25H55NO6P
SMILES
CC(C)CCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)O
InChI
InChI=1S/C25H54NO6P/c1-24(2)18-16-14-12-10-8-6-7-9-11-13-15-17-20-30-22-25(27)23-32-33(28,29)31-21-19-26(3,4)5/h24-25,27H,6-23H2,1-5H3/p+1/t25-/m1/s1
InChIKey
RQCNXHQIZGDHRA-RUZDIDTESA-O
Compound name
2-[hydroxy-[(2R)-2-hydroxy-3-(15-methylhexadecoxy)propoxy]phosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

496.3767 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.38398 230.2
[M+Na]+ 519.36592 232.9
[M-H]- 495.36942 224.7
[M+NH4]+ 514.41052 232.5
[M+K]+ 535.33986 229.5
[M+H-H2O]+ 479.37396 214.9
[M+HCOO]- 541.37490 240.6
[M+CH3COO]- 555.39055 238.9
[M+Na-2H]- 517.35137 214.0
[M]+ 496.37615 226.7
[M]- 496.37725 226.7
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.