CID 6446009

Brn 1544334

Structural Information

Molecular Formula
C16H17NO3
SMILES
COC1=C(C=C(C=C1)/C=C/C(C2=CC=NC=C2)O)OC
InChI
InChI=1S/C16H17NO3/c1-19-15-6-4-12(11-16(15)20-2)3-5-14(18)13-7-9-17-10-8-13/h3-11,14,18H,1-2H3/b5-3+
InChIKey
ZMEBTSCZLMWGGS-HWKANZROSA-N
Compound name
(E)-3-(3,4-dimethoxyphenyl)-1-pyridin-4-ylprop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.12085 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.12813 163.3
[M+Na]+ 294.11007 177.1
[M+NH4]+ 289.15467 170.3
[M+K]+ 310.08401 170.1
[M-H]- 270.11357 166.1
[M+Na-2H]- 292.09552 171.2
[M]+ 271.12030 166.0
[M]- 271.12140 166.0
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.