CID 6446756

D 1166

Structural Information

Molecular Formula
C17H18NO3
SMILES
C[N+]1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(C=C2)OC)OC
InChI
InChI=1S/C17H18NO3/c1-18-10-8-13(9-11-18)4-7-16(19)15-6-5-14(20-2)12-17(15)21-3/h4-12H,1-3H3/q+1/b7-4+
InChIKey
OWDSUEJZEXJCSV-QPJJXVBHSA-N
Compound name
(E)-1-(2,4-dimethoxyphenyl)-3-(1-methylpyridin-1-ium-4-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.12866 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.13594 168.3
[M+Na]+ 307.11788 176.3
[M-H]- 283.12138 174.2
[M+NH4]+ 302.16248 182.5
[M+K]+ 323.09182 167.1
[M+H-H2O]+ 267.12592 162.3
[M+HCOO]- 329.12686 189.9
[M+CH3COO]- 343.14251 194.7
[M+Na-2H]- 305.10333 173.6
[M]+ 284.12811 170.9
[M]- 284.12921 170.9
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.