CID 3007481

Chembl26250

Structural Information

Molecular Formula
C19H18N2O
SMILES
CC(C1=CC=CC=C1)OC2=CC=CC=C2C(=C)N3C=CN=C3
InChI
InChI=1S/C19H18N2O/c1-15(21-13-12-20-14-21)18-10-6-7-11-19(18)22-16(2)17-8-4-3-5-9-17/h3-14,16H,1H2,2H3
InChIKey
AUNWUJFQZPFZSS-UHFFFAOYSA-N
Compound name
1-[1-[2-(1-phenylethoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

290.1419 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.14918 169.1
[M+Na]+ 313.13112 175.2
[M-H]- 289.13462 175.9
[M+NH4]+ 308.17572 182.7
[M+K]+ 329.10506 170.2
[M+H-H2O]+ 273.13916 158.9
[M+HCOO]- 335.14010 189.6
[M+CH3COO]- 349.15575 179.8
[M+Na-2H]- 311.11657 171.0
[M]+ 290.14135 168.8
[M]- 290.14245 168.8
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