CID 5812432

1-(2-furanyl)-3-(4-pyridyl)-2-propen-1-one

Structural Information

Molecular Formula
C12H9NO2
SMILES
C1=COC(=C1)C(=O)/C=C/C2=CC=NC=C2
InChI
InChI=1S/C12H9NO2/c14-11(12-2-1-9-15-12)4-3-10-5-7-13-8-6-10/h1-9H/b4-3+
InChIKey
GDDOEQSZYMBMAZ-ONEGZZNKSA-N
Compound name
(E)-1-(furan-2-yl)-3-pyridin-4-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

199.06332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.07060 141.7
[M+Na]+ 222.05254 149.6
[M-H]- 198.05604 147.7
[M+NH4]+ 217.09714 159.6
[M+K]+ 238.02648 147.6
[M+H-H2O]+ 182.06058 134.4
[M+HCOO]- 244.06152 165.2
[M+CH3COO]- 258.07717 181.1
[M+Na-2H]- 220.03799 147.8
[M]+ 199.06277 142.7
[M]- 199.06387 142.7
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.