CID 5190265

47369-00-6

Structural Information

Molecular Formula
C22H18N2
SMILES
C1=CC=C(C=C1)[N+]2=CC=C(C=C2)C3=CC=[N+](C=C3)C4=CC=CC=C4
InChI
InChI=1S/C22H18N2/c1-3-7-21(8-4-1)23-15-11-19(12-16-23)20-13-17-24(18-14-20)22-9-5-2-6-10-22/h1-18H/q+2
InChIKey
FRAALLYKYQKVNX-UHFFFAOYSA-N
Compound name
1-phenyl-4-(1-phenylpyridin-1-ium-4-yl)pyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

310.147 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.154276 185.3
[M+Na]+ 333.136218 191.6
[M-H]- 309.139724 194.9
[M+NH4]+ 328.180823 194.9
[M+K]+ 349.110158 173.3
[M+H-H2O]+ 293.144260 178.0
[M+HCOO]- 355.145201 204.8
[M+CH3COO]- 369.160851 194.2
[M+Na-2H]- 331.121666 195.4
[M]+ 310.14645142 180.7
[M]- 310.14754858 180.7
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