CID 3007484

Chembl417840

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CCC(C1=CC=CC=C1)OC2=C(C=C(C=C2)Cl)C(=C)N3C=CN=C3
InChI
InChI=1S/C20H19ClN2O/c1-3-19(16-7-5-4-6-8-16)24-20-10-9-17(21)13-18(20)15(2)23-12-11-22-14-23/h4-14,19H,2-3H2,1H3
InChIKey
HBDSKKLCLAQAKJ-UHFFFAOYSA-N
Compound name
1-[1-[5-chloro-2-(1-phenylpropoxy)phenyl]ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.1186 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 180.5
[M+Na]+ 361.10782 187.8
[M-H]- 337.11132 187.1
[M+NH4]+ 356.15242 193.3
[M+K]+ 377.08176 180.9
[M+H-H2O]+ 321.11586 170.4
[M+HCOO]- 383.11680 195.9
[M+CH3COO]- 397.13245 190.6
[M+Na-2H]- 359.09327 180.6
[M]+ 338.11805 183.2
[M]- 338.11915 183.2
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.