CID 24844754

1,1'-(p-phenylenedimethylene)bis(2,4-dimethylpyridinium bromide)

Structural Information

Molecular Formula
C22H26N2
SMILES
CC1=CC(=[N+](C=C1)CC2=CC=C(C=C2)C[N+]3=C(C=C(C=C3)C)C)C
InChI
InChI=1S/C22H26N2/c1-17-9-11-23(19(3)13-17)15-21-5-7-22(8-6-21)16-24-12-10-18(2)14-20(24)4/h5-14H,15-16H2,1-4H3/q+2
InChIKey
TWBDIPSHTKROQQ-UHFFFAOYSA-N
Compound name
1-[[4-[(2,4-dimethylpyridin-1-ium-1-yl)methyl]phenyl]methyl]-2,4-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 179.6
[M+Na]+ 341.19882 202.1
[M+NH4]+ 336.24342 190.7
[M+K]+ 357.17276 192.5
[M-H]- 317.20232 190.3
[M+Na-2H]- 339.18427 193.0
[M]+ 318.20905 187.1
[M]- 318.21015 187.1
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.