CID 5354064

4'-amino-3-(2-pyridyl)acrylophenone

Structural Information

Molecular Formula
C14H12N2O
SMILES
C1=CC=NC(=C1)/C=C/C(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C14H12N2O/c15-12-6-4-11(5-7-12)14(17)9-8-13-3-1-2-10-16-13/h1-10H,15H2/b9-8+
InChIKey
IQLLDNFSIXBVLW-CMDGGOBGSA-N
Compound name
(E)-1-(4-aminophenyl)-3-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

224.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.102236 150.3
[M+Na]+ 247.084178 157.4
[M-H]- 223.087684 155.2
[M+NH4]+ 242.128783 166.3
[M+K]+ 263.058118 152.7
[M+H-H2O]+ 207.092220 142.0
[M+HCOO]- 269.093161 173.5
[M+CH3COO]- 283.108811 190.5
[M+Na-2H]- 245.069626 156.0
[M]+ 224.09441142 147.9
[M]- 224.09550858 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

patents stripe