CID 200430

1,1'-dibutyl-4,4'-bipyridinium diiodide

Structural Information

Molecular Formula
C18H26N2
SMILES
CCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCC
InChI
InChI=1S/C18H26N2/c1-3-5-11-19-13-7-17(8-14-19)18-9-15-20(16-10-18)12-6-4-2/h7-10,13-16H,3-6,11-12H2,1-2H3/q+2
InChIKey
IYBJGKAWHHFZSQ-UHFFFAOYSA-N
Compound name
1-butyl-4-(1-butylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

102
Patents

270.2096 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.21688 172.4
[M+Na]+ 293.19882 178.7
[M-H]- 269.20232 176.2
[M+NH4]+ 288.24342 185.5
[M+K]+ 309.17276 162.8
[M+H-H2O]+ 253.20686 168.1
[M+HCOO]- 315.20780 191.7
[M+CH3COO]- 329.22345 189.8
[M+Na-2H]- 291.18427 180.9
[M]+ 270.20905 172.1
[M]- 270.21015 172.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe