CID 5712235

1-(4-methoxyphenyl)-3-(pyridin-4-yl)prop-2-en-1-one

Structural Information

Molecular Formula
C15H13NO2
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CC=NC=C2
InChI
InChI=1S/C15H13NO2/c1-18-14-5-3-13(4-6-14)15(17)7-2-12-8-10-16-11-9-12/h2-11H,1H3/b7-2+
InChIKey
OHXOJKQHTRABPQ-FARCUNLSSA-N
Compound name
(E)-1-(4-methoxyphenyl)-3-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

239.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.101916 153.4
[M+Na]+ 262.083858 160.8
[M-H]- 238.087364 158.6
[M+NH4]+ 257.128463 169.3
[M+K]+ 278.057798 156.9
[M+H-H2O]+ 222.091900 145.0
[M+HCOO]- 284.092841 176.0
[M+CH3COO]- 298.108491 191.4
[M+Na-2H]- 260.069306 159.1
[M]+ 239.09409142 154.4
[M]- 239.09518858 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.