CID 6434888

64908-88-9

Structural Information

Molecular Formula

C₁₄H₁₂N₂O

SMILES

C1=CC(=CN=C1)/C=C/C(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H12N2O/c15-13-6-4-12(5-7-13)14(17)8-3-11-2-1-9-16-10-11/h1-10H,15H2/b8-3+

InChIKey

XNRPHFPVYAZSBF-FPYGCLRLSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 224.09496 Da
Monoisotopic Mass: 1.9
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]+	225.10224	151.1
[M+Na]+	247.08418	165.0
[M+NH4]+	242.12878	159.0
[M+K]+	263.05812	157.4
[M-H]-	223.08768	155.3
[M+Na-2H]-	245.06963	160.4
[M]+	224.09441	154.2
[M]-	224.09551	154.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe