CID 3007487

Chembl25743

Structural Information

Molecular Formula
C19H17ClN2O
SMILES
CC(C1=CC(=CC=C1)Cl)OC2=CC=CC=C2C(=C)N3C=CN=C3
InChI
InChI=1S/C19H17ClN2O/c1-14(22-11-10-21-13-22)18-8-3-4-9-19(18)23-15(2)16-6-5-7-17(20)12-16/h3-13,15H,1H2,2H3
InChIKey
UJSLRXARNPFNMP-UHFFFAOYSA-N
Compound name
1-[1-[2-[1-(3-chlorophenyl)ethoxy]phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.10294 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11022 175.9
[M+Na]+ 347.09216 183.7
[M-H]- 323.09566 182.8
[M+NH4]+ 342.13676 189.3
[M+K]+ 363.06610 177.0
[M+H-H2O]+ 307.10020 166.0
[M+HCOO]- 369.10114 191.6
[M+CH3COO]- 383.11679 186.5
[M+Na-2H]- 345.07761 176.5
[M]+ 324.10239 178.3
[M]- 324.10349 178.3
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

No patent data available for this compound.