CID 175947

103694-63-9

Structural Information

Molecular Formula
C32H72N3O
SMILES
CCCCCCCCCCCCCCC(C[N+](C)(CCCC[N+](C)(C)CC)CCC[N+](C)(C)CC)O
InChI
InChI=1S/C32H72N3O/c1-9-12-13-14-15-16-17-18-19-20-21-22-26-32(36)31-35(8,30-25-28-34(6,7)11-3)29-24-23-27-33(4,5)10-2/h32,36H,9-31H2,1-8H3/q+3
InChIKey
SINCAANXKUNVKX-UHFFFAOYSA-N
Compound name
ethyl-[3-[4-[ethyl(dimethyl)azaniumyl]butyl-(2-hydroxyhexadecyl)-methylazaniumyl]propyl]-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

514.56757 Da
Monoisotopic Mass

8.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.57485 266.7
[M+Na]+ 537.55679 269.1
[M+NH4]+ 532.60139 271.5
[M+K]+ 553.53073 271.2
[M-H]- 513.56029 259.3
[M+Na-2H]- 535.54224 253.5
[M]+ 514.56702 265.8
[M]- 514.56812 265.8
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

No patent data available for this compound.