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

8
Patents

241.11028 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.3
[M+Na]+ 264.09950 162.6
[M-H]- 240.10300 159.7
[M+NH4]+ 259.14410 170.6
[M+K]+ 280.07344 158.8
[M+H-H2O]+ 224.10754 145.9
[M+HCOO]- 286.10848 177.7
[M+CH3COO]- 300.12413 192.5
[M+Na-2H]- 262.08495 160.4
[M]+ 241.10973 157.0
[M]- 241.11083 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

literature stripe

Patent stripe

patents stripe