CID 3007453

Chembl29190

Structural Information

Molecular Formula
C18H16N2O
SMILES
C=C(C1=CC=CC=C1OCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C18H16N2O/c1-15(20-12-11-19-14-20)17-9-5-6-10-18(17)21-13-16-7-3-2-4-8-16/h2-12,14H,1,13H2
InChIKey
POIKGFCPMLUKBS-UHFFFAOYSA-N
Compound name
1-[1-(2-phenylmethoxyphenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

276.12625 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.13353 164.5
[M+Na]+ 299.11547 171.4
[M-H]- 275.11897 171.4
[M+NH4]+ 294.16007 178.8
[M+K]+ 315.08941 166.1
[M+H-H2O]+ 259.12351 154.4
[M+HCOO]- 321.12445 186.3
[M+CH3COO]- 335.14010 175.8
[M+Na-2H]- 297.10092 168.1
[M]+ 276.12570 164.5
[M]- 276.12680 164.5
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.