CID 45138528

Vb-201

Structural Information

Molecular Formula
C29H61NO8P
SMILES
CCCCCCCCCCCCCCCCOC[C@H](COP(=O)(O)OCC[N+](C)(C)C)OCCCCC(=O)O
InChI
InChI=1S/C29H60NO8P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-19-23-35-26-28(36-24-20-18-21-29(31)32)27-38-39(33,34)37-25-22-30(2,3)4/h28H,5-27H2,1-4H3,(H-,31,32,33,34)/p+1/t28-/m1/s1
InChIKey
JGGNOCUEWOGWPL-MUUNZHRXSA-O
Compound name
2-[[(2R)-2-(4-carboxybutoxy)-3-hexadecoxypropoxy]-hydroxyphosphoryl]oxyethyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

114
Patents

582.41345 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 583.42073 246.8
[M+Na]+ 605.40267 250.5
[M+NH4]+ 600.44727 221.2
[M+K]+ 621.37661 256.1
[M-H]- 581.40617 241.4
[M+Na-2H]- 603.38812 238.1
[M]+ 582.41290 247.3
[M]- 582.41400 247.3
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

patents stripe