CID 45645

Ammonium, (3-(p-triethylammoniophenyl)propyl)triethyl-, diiodide

Structural Information

Molecular Formula
C21H40N2
SMILES
CC[N+](CC)(CC)CCCC1=CC=C(C=C1)[N+](CC)(CC)CC
InChI
InChI=1S/C21H40N2/c1-7-22(8-2,9-3)19-13-14-20-15-17-21(18-16-20)23(10-4,11-5)12-6/h15-18H,7-14,19H2,1-6H3/q+2
InChIKey
APMFGZAWBCQVAA-UHFFFAOYSA-N
Compound name
triethyl-[3-[4-(triethylazaniumyl)phenyl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.31915 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.32643 181.5
[M+Na]+ 343.30837 184.5
[M-H]- 319.31187 186.8
[M+NH4]+ 338.35297 196.9
[M+K]+ 359.28231 171.1
[M+H-H2O]+ 303.31641 179.7
[M+HCOO]- 365.31735 202.7
[M+CH3COO]- 379.33300 212.3
[M+Na-2H]- 341.29382 190.5
[M]+ 320.31860 184.0
[M]- 320.31970 184.0
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.