CID 14196

Benzyl viologen

Structural Information

Molecular Formula
C24H22N2
SMILES
C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H22N2/c1-3-7-21(8-4-1)19-25-15-11-23(12-16-25)24-13-17-26(18-14-24)20-22-9-5-2-6-10-22/h1-18H,19-20H2/q+2
InChIKey
LUAZZOXZPVVGSO-UHFFFAOYSA-N
Compound name
1-benzyl-4-(1-benzylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

151
References

2626
Patents

338.17828 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.18556 194.5
[M+Na]+ 361.16750 199.8
[M-H]- 337.17100 203.6
[M+NH4]+ 356.21210 202.9
[M+K]+ 377.14144 181.1
[M+H-H2O]+ 321.17554 186.6
[M+HCOO]- 383.17648 213.2
[M+CH3COO]- 397.19213 199.9
[M+Na-2H]- 359.15295 203.4
[M]+ 338.17773 190.4
[M]- 338.17883 190.4
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