CID 3129682

183540-82-1

Structural Information

Molecular Formula
C18H15N2O
SMILES
C1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C18H15N2O/c21-18(17-4-2-1-3-5-17)14-20-12-8-16(9-13-20)15-6-10-19-11-7-15/h1-13H,14H2/q+1
InChIKey
XYLUICCZFMIYNF-UHFFFAOYSA-N
Compound name
1-phenyl-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.11844 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.12572 162.7
[M+Na]+ 298.10766 182.0
[M+NH4]+ 293.15226 172.5
[M+K]+ 314.08160 173.3
[M-H]- 274.11116 170.7
[M+Na-2H]- 296.09311 176.6
[M]+ 275.11789 168.4
[M]- 275.11899 168.4
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.