CID 135541353

(z)-2-(6-phenethylpyrimidin-4-yl)-1-(3-pyridyl)ethenol

Structural Information

Molecular Formula
C19H17N3O
SMILES
C1=CC=C(C=C1)CCC2=CC(=NC=N2)/C=C(/C3=CN=CC=C3)\O
InChI
InChI=1S/C19H17N3O/c23-19(16-7-4-10-20-13-16)12-18-11-17(21-14-22-18)9-8-15-5-2-1-3-6-15/h1-7,10-14,23H,8-9H2/b19-12-
InChIKey
KOAFJDHNPRBRRO-UNOMPAQXSA-N
Compound name
(Z)-2-[6-(2-phenylethyl)pyrimidin-4-yl]-1-pyridin-3-ylethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

303.13718 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.144456 173.0
[M+Na]+ 326.126398 179.2
[M-H]- 302.129904 176.6
[M+NH4]+ 321.171003 182.1
[M+K]+ 342.100338 172.0
[M+H-H2O]+ 286.134440 161.5
[M+HCOO]- 348.135381 190.6
[M+CH3COO]- 362.151031 182.0
[M+Na-2H]- 324.111846 178.8
[M]+ 303.13663142 170.9
[M]- 303.13772858 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

literature stripe

Patent stripe

No patent data available for this compound.