CID 45051123

1-(2-(1,1'-biphenyl)-4-yl-2-oxoethyl)-4-(4-pyridinyl)pyridinium bromide

Structural Information

Molecular Formula
C24H19N2O
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC=C(C=C3)C4=CC=NC=C4
InChI
InChI=1S/C24H19N2O/c27-24(23-8-6-20(7-9-23)19-4-2-1-3-5-19)18-26-16-12-22(13-17-26)21-10-14-25-15-11-21/h1-17H,18H2/q+1
InChIKey
UYDSTWTZFMOJOR-UHFFFAOYSA-N
Compound name
1-(4-phenylphenyl)-2-(4-pyridin-4-ylpyridin-1-ium-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.14975 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.15703 191.6
[M+Na]+ 374.13897 197.3
[M-H]- 350.14247 200.9
[M+NH4]+ 369.18357 199.7
[M+K]+ 390.11291 184.3
[M+H-H2O]+ 334.14701 181.2
[M+HCOO]- 396.14795 210.6
[M+CH3COO]- 410.16360 207.2
[M+Na-2H]- 372.12442 198.1
[M]+ 351.14920 188.7
[M]- 351.15030 188.7
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

No patent data available for this compound.