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]+ 304.14446 173.0
[M+Na]+ 326.12640 179.2
[M-H]- 302.12990 176.6
[M+NH4]+ 321.17100 182.1
[M+K]+ 342.10034 172.0
[M+H-H2O]+ 286.13444 161.5
[M+HCOO]- 348.13538 190.6
[M+CH3COO]- 362.15103 182.0
[M+Na-2H]- 324.11185 178.8
[M]+ 303.13663 170.9
[M]- 303.13773 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.