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

literature stripe

Patent stripe

patents stripe