CID 151905

14208-10-7

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

332
Patents

262.147 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.15428 169.3
[M+Na]+ 285.13622 175.6
[M-H]- 261.13972 176.0
[M+NH4]+ 280.18082 181.5
[M+K]+ 301.11016 158.9
[M+H-H2O]+ 245.14426 163.7
[M+HCOO]- 307.14520 189.5
[M+CH3COO]- 321.16085 185.0
[M+Na-2H]- 283.12167 180.5
[M]+ 262.14645 165.9
[M]- 262.14755 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