CID 6446009

4-pyridinemethanol, alpha-(2-(3,4-dimethoxyphenyl)ethenyl)-

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 162.6
[M+Na]+ 294.11007 169.6
[M-H]- 270.11357 166.6
[M+NH4]+ 289.15467 176.7
[M+K]+ 310.08401 165.8
[M+H-H2O]+ 254.11811 154.2
[M+HCOO]- 316.11905 183.3
[M+CH3COO]- 330.13470 195.9
[M+Na-2H]- 292.09552 166.5
[M]+ 271.12030 164.6
[M]- 271.12140 164.6
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.