CID 3727491

3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one

Structural Information

Molecular Formula
C16H15NO3
SMILES
COC1=C(C=C(C=C1)C=CC(=O)C2=CC=CC=N2)OC
InChI
InChI=1S/C16H15NO3/c1-19-15-9-7-12(11-16(15)20-2)6-8-14(18)13-5-3-4-10-17-13/h3-11H,1-2H3
InChIKey
SHLVTYKREZOGJB-UHFFFAOYSA-N
Compound name
3-(3,4-dimethoxyphenyl)-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.1052 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 160.9
[M+Na]+ 292.09442 168.6
[M-H]- 268.09792 166.3
[M+NH4]+ 287.13902 175.7
[M+K]+ 308.06836 165.1
[M+H-H2O]+ 252.10246 152.2
[M+HCOO]- 314.10340 183.3
[M+CH3COO]- 328.11905 197.6
[M+Na-2H]- 290.07987 165.3
[M]+ 269.10465 164.1
[M]- 269.10575 164.1
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.