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 195.3
[M+Na]+ 383.36080 242.2
[M-H]- 359.36430 228.7
[M+NH4]+ 378.40540 235.3
[M+K]+ 399.33474 184.5
[M+H-H2O]+ 343.36884 193.7
[M+HCOO]- 405.36978 255.9
[M+CH3COO]- 419.38543 219.6
[M+Na-2H]- 381.34625 202.9
[M]+ 360.37103 235.0
[M]- 360.37213 235.0
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.