CID 3007479

Chembl26366

Structural Information

Molecular Formula
C19H18N2O
SMILES
C=C(C1=CC=CC=C1OCCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C19H18N2O/c1-16(21-13-12-20-15-21)18-9-5-6-10-19(18)22-14-11-17-7-3-2-4-8-17/h2-10,12-13,15H,1,11,14H2
InChIKey
KTVZIXJLAPLDTE-UHFFFAOYSA-N
Compound name
1-[1-[2-(2-phenylethoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

290.1419 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 169.0
[M+Na]+ 313.13112 175.5
[M-H]- 289.13462 175.7
[M+NH4]+ 308.17572 182.7
[M+K]+ 329.10506 169.9
[M+H-H2O]+ 273.13916 158.7
[M+HCOO]- 335.14010 190.5
[M+CH3COO]- 349.15575 179.9
[M+Na-2H]- 311.11657 172.1
[M]+ 290.14135 169.3
[M]- 290.14245 169.3
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

patents stripe