CID 5795972

3'-amino-3-(4-pyridyl)acrylophenone

Structural Information

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