CID 6446731

2-propen-1-one, 3-(m-aminophenyl)-1-(4-pyridyl)-

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC(=CC(=C1)N)/C=C/C(=O)C2=CC=NC=C2
InChI
InChI=1S/C14H12N2O/c15-13-3-1-2-11(10-13)4-5-14(17)12-6-8-16-9-7-12/h1-10H,15H2/b5-4+
InChIKey
PNDSZTTZWDIGMT-SNAWJCMRSA-N
Compound name
(E)-3-(3-aminophenyl)-1-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

224.09496 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.10224 150.3
[M+Na]+ 247.08418 157.4
[M-H]- 223.08768 155.2
[M+NH4]+ 242.12878 166.3
[M+K]+ 263.05812 152.7
[M+H-H2O]+ 207.09222 142.0
[M+HCOO]- 269.09316 173.5
[M+CH3COO]- 283.10881 190.5
[M+Na-2H]- 245.06963 156.0
[M]+ 224.09441 147.9
[M]- 224.09551 147.9
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.