CID 25142799

Pfk-015

Structural Information

Molecular Formula

C₁₇H₁₂N₂O

SMILES

C1=CC=C2C(=C1)C=CC(=N2)/C=C/C(=O)C3=CC=NC=C3

InChI

InChI=1S/C17H12N2O/c20-17(14-9-11-18-12-10-14)8-7-15-6-5-13-3-1-2-4-16(13)19-15/h1-12H/b8-7+

InChIKey

UJJUKZPBUMCSJZ-BQYQJAHWSA-N

Compound name

(E)-1-pyridin-4-yl-3-quinolin-2-ylprop-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 17
References: 84
Patents: 260.09497 Da
Monoisotopic Mass: 2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	261.10225	159.6
[M+Na]+	283.08419	167.5
[M-H]-	259.08769	164.0
[M+NH4]+	278.12879	173.9
[M+K]+	299.05813	161.4
[M+H-H2O]+	243.09223	149.8
[M+HCOO]-	305.09317	179.5
[M+CH3COO]-	319.10882	170.8
[M+Na-2H]-	281.06964	167.4
[M]+	260.09442	158.9
[M]-	260.09552	158.9

Literature stripe

literature stripe

Patent stripe

patents stripe