CID 11957947

Chembl43013

Structural Information

Molecular Formula
C15H15NO2
SMILES
COC1=CC(=CC(=C1)/C=C/C2=CC=NC=C2)OC
InChI
InChI=1S/C15H15NO2/c1-17-14-9-13(10-15(11-14)18-2)4-3-12-5-7-16-8-6-12/h3-11H,1-2H3/b4-3+
InChIKey
HXJQPOSPRKZPGS-ONEGZZNKSA-N
Compound name
4-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

6
Patents

241.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.117556 154.3
[M+Na]+ 264.099498 162.6
[M-H]- 240.103004 159.7
[M+NH4]+ 259.144103 170.6
[M+K]+ 280.073438 158.8
[M+H-H2O]+ 224.107540 145.9
[M+HCOO]- 286.108481 177.7
[M+CH3COO]- 300.124131 192.5
[M+Na-2H]- 262.084946 160.4
[M]+ 241.10973142 157.0
[M]- 241.11082858 157.0
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.