CID 3007386

108664-25-1

Structural Information

Molecular Formula
C15H13NO3
SMILES
COC1=CC=CC=C1C(=O)C(=C)N2C=CC=CC2=O
InChI
InChI=1S/C15H13NO3/c1-11(16-10-6-5-9-14(16)17)15(18)12-7-3-4-8-13(12)19-2/h3-10H,1H2,2H3
InChIKey
NXKSNNDXSDMNBI-UHFFFAOYSA-N
Compound name
1-[3-(2-methoxyphenyl)-3-oxoprop-1-en-2-yl]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

255.08954 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 154.7
[M+Na]+ 278.07876 162.8
[M-H]- 254.08226 160.4
[M+NH4]+ 273.12336 169.9
[M+K]+ 294.05270 159.5
[M+H-H2O]+ 238.08680 146.5
[M+HCOO]- 300.08774 176.6
[M+CH3COO]- 314.10339 195.4
[M+Na-2H]- 276.06421 158.6
[M]+ 255.08899 156.4
[M]- 255.09009 156.4
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.