CID 135480613

(z)-2-(6-phenethylpyrimidin-4-yl)-1-phenyl-ethenol

Structural Information

Molecular Formula
C20H18N2O
SMILES
C1=CC=C(C=C1)CCC2=CC(=NC=N2)/C=C(/C3=CC=CC=C3)\O
InChI
InChI=1S/C20H18N2O/c23-20(17-9-5-2-6-10-17)14-19-13-18(21-15-22-19)12-11-16-7-3-1-4-8-16/h1-10,13-15,23H,11-12H2/b20-14-
InChIKey
HWEYZJHFXZWZNT-ZHZULCJRSA-N
Compound name
(Z)-1-phenyl-2-[6-(2-phenylethyl)pyrimidin-4-yl]ethenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.1419 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.14918 173.0
[M+Na]+ 325.13112 178.7
[M-H]- 301.13462 177.9
[M+NH4]+ 320.17572 183.5
[M+K]+ 341.10506 171.7
[M+H-H2O]+ 285.13916 162.2
[M+HCOO]- 347.14010 191.7
[M+CH3COO]- 361.15575 182.4
[M+Na-2H]- 323.11657 178.1
[M]+ 302.14135 170.8
[M]- 302.14245 170.8
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.