CID 151905

N,n'-4-xylylenebis(pyridinium)

Structural Information

Molecular Formula
C18H18N2
SMILES
C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC=C3
InChI
InChI=1S/C18H18N2/c1-3-11-19(12-4-1)15-17-7-9-18(10-8-17)16-20-13-5-2-6-14-20/h1-14H,15-16H2/q+2
InChIKey
FNDXYZZNFYPLLV-UHFFFAOYSA-N
Compound name
1-[[4-(pyridin-1-ium-1-ylmethyl)phenyl]methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

28
References

358
Patents

262.147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.154276 169.3
[M+Na]+ 285.136218 175.6
[M-H]- 261.139724 176.0
[M+NH4]+ 280.180823 181.5
[M+K]+ 301.110158 158.9
[M+H-H2O]+ 245.144260 163.7
[M+HCOO]- 307.145201 189.5
[M+CH3COO]- 321.160851 185.0
[M+Na-2H]- 283.121666 180.5
[M]+ 262.14645142 165.9
[M]- 262.14754858 165.9
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

patents stripe