CID 71587484

Panthequat

Structural Information

Molecular Formula
C32H67N2O5
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(C)CC(COCC(C)(C)C(C(=O)NCCCO)O)O
InChI
InChI=1S/C32H66N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-24-34(4,5)26-29(36)27-39-28-32(2,3)30(37)31(38)33-23-22-25-35/h29-30,35-37H,6-28H2,1-5H3/p+1
InChIKey
KCOOCRUOZMTYJS-UHFFFAOYSA-O
Compound name
[2-hydroxy-3-[3-hydroxy-4-(3-hydroxypropylamino)-2,2-dimethyl-4-oxobutoxy]propyl]-dimethyl-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

559.505 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 560.51228 254.6
[M+Na]+ 582.49422 257.1
[M+NH4]+ 577.53882 219.9
[M+K]+ 598.46816 261.1
[M-H]- 558.49772 208.9
[M+Na-2H]- 580.47967 243.1
[M]+ 559.50445 253.8
[M]- 559.50555 253.8
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

patents stripe