CID 436897

155346-51-3

Structural Information

Molecular Formula
C18H16N
SMILES
C1=CC=C(C=C1)C[N+]2=CC=C(C=C2)C3=CC=CC=C3
InChI
InChI=1S/C18H16N/c1-3-7-16(8-4-1)15-19-13-11-18(12-14-19)17-9-5-2-6-10-17/h1-14H,15H2/q+1
InChIKey
QHBDHYKLHFDJIG-UHFFFAOYSA-N
Compound name
1-benzyl-4-phenylpyridin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

118
Patents

246.12828 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.13556 160.8
[M+Na]+ 269.11750 167.7
[M-H]- 245.12100 169.0
[M+NH4]+ 264.16210 175.6
[M+K]+ 285.09144 156.4
[M+H-H2O]+ 229.12554 153.8
[M+HCOO]- 291.12648 183.2
[M+CH3COO]- 305.14213 187.7
[M+Na-2H]- 267.10295 170.3
[M]+ 246.12773 158.1
[M]- 246.12883 158.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe