CID 494091

4907-71-5

Structural Information

Molecular Formula
C22H22N2
SMILES
C=CC1=CC=[N+](C=C1)CC2=CC=C(C=C2)C[N+]3=CC=C(C=C3)C=C
InChI
InChI=1S/C22H22N2/c1-3-19-9-13-23(14-10-19)17-21-5-7-22(8-6-21)18-24-15-11-20(4-2)12-16-24/h3-16H,1-2,17-18H2/q+2
InChIKey
KLGUKOLJDYEKMP-UHFFFAOYSA-N
Compound name
4-ethenyl-1-[[4-[(4-ethenylpyridin-1-ium-1-yl)methyl]phenyl]methyl]pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.17828 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18556 185.9
[M+Na]+ 337.16750 192.8
[M-H]- 313.17100 192.8
[M+NH4]+ 332.21210 196.4
[M+K]+ 353.14144 174.0
[M+H-H2O]+ 297.17554 179.9
[M+HCOO]- 359.17648 205.1
[M+CH3COO]- 373.19213 196.5
[M+Na-2H]- 335.15295 193.5
[M]+ 314.17773 183.1
[M]- 314.17883 183.1
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.