CID 3807972

1-(2-(4-methylphenyl)-2-oxoethyl)-4-(4-pyridinyl)pyridinium bromide

Structural Information

Molecular Formula
C19H17N2O
SMILES
CC1=CC=C(C=C1)C(=O)C[N+]2=CC=C(C=C2)C3=CC=NC=C3
InChI
InChI=1S/C19H17N2O/c1-15-2-4-18(5-3-15)19(22)14-21-12-8-17(9-13-21)16-6-10-20-11-7-16/h2-13H,14H2,1H3/q+1
InChIKey
XZRGPXDECVAMIC-UHFFFAOYSA-N
Compound name
1-(4-methylphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.1341 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.14138 167.3
[M+Na]+ 312.12332 186.7
[M+NH4]+ 307.16792 176.8
[M+K]+ 328.09726 178.0
[M-H]- 288.12682 175.3
[M+Na-2H]- 310.10877 180.6
[M]+ 289.13355 173.0
[M]- 289.13465 173.0
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.