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]+ 270.112476 160.9
[M+Na]+ 292.094418 168.6
[M-H]- 268.097924 166.3
[M+NH4]+ 287.139023 175.7
[M+K]+ 308.068358 165.1
[M+H-H2O]+ 252.102460 152.2
[M+HCOO]- 314.103401 183.3
[M+CH3COO]- 328.119051 197.6
[M+Na-2H]- 290.079866 165.3
[M]+ 269.10465142 164.1
[M]- 269.10574858 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.