CID 24844752

1,1'-(p-phenylenedimethylene)bis(2,3-dimethylpyridinium bromide)

Structural Information

Molecular Formula
C22H26N2
SMILES
CC1=C([N+](=CC=C1)CC2=CC=C(C=C2)C[N+]3=CC=CC(=C3C)C)C
InChI
InChI=1S/C22H26N2/c1-17-7-5-13-23(19(17)3)15-21-9-11-22(12-10-21)16-24-14-6-8-18(2)20(24)4/h5-14H,15-16H2,1-4H3/q+2
InChIKey
NNZZPSYWUDAZLH-UHFFFAOYSA-N
Compound name
1-[[4-[(2,3-dimethylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-2,3-dimethylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2096 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21688 187.1
[M+Na]+ 341.19882 195.3
[M-H]- 317.20232 194.7
[M+NH4]+ 336.24342 198.3
[M+K]+ 357.17276 177.8
[M+H-H2O]+ 301.20686 181.5
[M+HCOO]- 363.20780 205.9
[M+CH3COO]- 377.22345 200.7
[M+Na-2H]- 339.18427 193.5
[M]+ 318.20905 186.6
[M]- 318.21015 186.6
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.