CID 3007383

2(1h)-pyridinone, 1-(1-benzoylethenyl)-

Structural Information

Molecular Formula
C14H11NO2
SMILES
C=C(C(=O)C1=CC=CC=C1)N2C=CC=CC2=O
InChI
InChI=1S/C14H11NO2/c1-11(15-10-6-5-9-13(15)16)14(17)12-7-3-2-4-8-12/h2-10H,1H2
InChIKey
LDNZAPNVHAYNIT-UHFFFAOYSA-N
Compound name
1-(3-oxo-3-phenylprop-1-en-2-yl)pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.07898 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.08626 147.4
[M+Na]+ 248.06820 155.2
[M-H]- 224.07170 152.9
[M+NH4]+ 243.11280 163.7
[M+K]+ 264.04214 151.4
[M+H-H2O]+ 208.07624 139.4
[M+HCOO]- 270.07718 169.5
[M+CH3COO]- 284.09283 189.2
[M+Na-2H]- 246.05365 152.6
[M]+ 225.07843 146.9
[M]- 225.07953 146.9
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.