CID 3007447

Chembl282541

Structural Information

Molecular Formula
C14H15ClN2O
SMILES
CC(C)OC1=C(C=C(C=C1)Cl)C(=C)N2C=CN=C2
InChI
InChI=1S/C14H15ClN2O/c1-10(2)18-14-5-4-12(15)8-13(14)11(3)17-7-6-16-9-17/h4-10H,3H2,1-2H3
InChIKey
RNOWKYOMKUYXKZ-UHFFFAOYSA-N
Compound name
1-[1-(5-chloro-2-propan-2-yloxyphenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.08728 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.09456 158.7
[M+Na]+ 285.07650 167.5
[M-H]- 261.08000 162.9
[M+NH4]+ 280.12110 175.3
[M+K]+ 301.05044 162.6
[M+H-H2O]+ 245.08454 150.7
[M+HCOO]- 307.08548 174.9
[M+CH3COO]- 321.10113 196.1
[M+Na-2H]- 283.06195 159.9
[M]+ 262.08673 161.9
[M]- 262.08783 161.9
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.