CID 3049940

D 1131

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=CC(=C(C=C1)C(=O)CCC2=CC=NC=C2)OC
InChI
InChI=1S/C16H17NO3/c1-19-13-4-5-14(16(11-13)20-2)15(18)6-3-12-7-9-17-10-8-12/h4-5,7-11H,3,6H2,1-2H3
InChIKey
XCSFINMYUVDDIM-UHFFFAOYSA-N
Compound name
1-(2,4-dimethoxyphenyl)-3-pyridin-4-ylpropan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 161.9
[M+Na]+ 294.11007 169.3
[M-H]- 270.11357 167.2
[M+NH4]+ 289.15467 176.7
[M+K]+ 310.08401 166.4
[M+H-H2O]+ 254.11811 153.1
[M+HCOO]- 316.11905 184.1
[M+CH3COO]- 330.13470 199.0
[M+Na-2H]- 292.09552 166.3
[M]+ 271.12030 165.9
[M]- 271.12140 165.9
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.