CID 44200

(n,n'-pentamethylenedioxydiethylene)bis(triethylammonium iodide)

Structural Information

Molecular Formula
C21H48N2O2
SMILES
CC[N+](CC)(CC)CCOCCCCCOCC[N+](CC)(CC)CC
InChI
InChI=1S/C21H48N2O2/c1-7-22(8-2,9-3)16-20-24-18-14-13-15-19-25-21-17-23(10-4,11-5)12-6/h7-21H2,1-6H3/q+2
InChIKey
BPOOLZUCPICHCM-UHFFFAOYSA-N
Compound name
triethyl-[2-[5-[2-(triethylazaniumyl)ethoxy]pentoxy]ethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.37158 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.37886 221.5
[M+Na]+ 383.36080 226.1
[M+NH4]+ 378.40540 227.8
[M+K]+ 399.33474 230.3
[M-H]- 359.36430 214.6
[M+Na-2H]- 381.34625 213.0
[M]+ 360.37103 221.5
[M]- 360.37213 221.5
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.