CID 5717022

Chembl4074953

Structural Information

Molecular Formula
C15H13NO2
SMILES
COC1=CC=C(C=C1)C(=O)/C=C/C2=CN=CC=C2
InChI
InChI=1S/C15H13NO2/c1-18-14-7-5-13(6-8-14)15(17)9-4-12-3-2-10-16-11-12/h2-11H,1H3/b9-4+
InChIKey
WPXOTBIFJKUITB-RUDMXATFSA-N
Compound name
(E)-1-(4-methoxyphenyl)-3-pyridin-3-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

239.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.10192 153.4
[M+Na]+ 262.08386 160.8
[M-H]- 238.08736 158.6
[M+NH4]+ 257.12846 169.3
[M+K]+ 278.05780 156.9
[M+H-H2O]+ 222.09190 145.0
[M+HCOO]- 284.09284 176.0
[M+CH3COO]- 298.10849 191.4
[M+Na-2H]- 260.06931 159.1
[M]+ 239.09409 154.4
[M]- 239.09519 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.