CID 3007462

Chembl26324

Structural Information

Molecular Formula
C18H14Cl2N2O
SMILES
C=C(C1=C(C(=CC(=C1)Cl)Cl)OCC2=CC=CC=C2)N3C=CN=C3
InChI
InChI=1S/C18H14Cl2N2O/c1-13(22-8-7-21-12-22)16-9-15(19)10-17(20)18(16)23-11-14-5-3-2-4-6-14/h2-10,12H,1,11H2
InChIKey
RQBXVFNJQXEVFE-UHFFFAOYSA-N
Compound name
1-[1-(3,5-dichloro-2-phenylmethoxyphenyl)ethenyl]imidazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

344.0483 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.05558 178.0
[M+Na]+ 367.03752 187.8
[M-H]- 343.04102 184.3
[M+NH4]+ 362.08212 191.4
[M+K]+ 383.01146 179.8
[M+H-H2O]+ 327.04556 168.5
[M+HCOO]- 389.04650 189.8
[M+CH3COO]- 403.06215 188.6
[M+Na-2H]- 365.02297 178.7
[M]+ 344.04775 182.2
[M]- 344.04885 182.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.