CID 9579032

Chembl1194770

Structural Information

Molecular Formula
C18H13Cl4N3O
SMILES
C1=CC(=C(C=C1Cl)Cl)/C=N/OC(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H13Cl4N3O/c19-13-2-1-12(16(21)7-13)9-24-26-18(10-25-6-5-23-11-25)15-4-3-14(20)8-17(15)22/h1-9,11,18H,10H2/b24-9+
InChIKey
WSDOSWPGKAIEHR-PGGKNCGUSA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]methanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.98126 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.98854 195.3
[M+Na]+ 449.97048 204.6
[M-H]- 425.97398 199.6
[M+NH4]+ 445.01508 205.6
[M+K]+ 465.94442 197.1
[M+H-H2O]+ 409.97852 185.5
[M+HCOO]- 471.97946 198.0
[M+CH3COO]- 485.99511 203.2
[M+Na-2H]- 447.95593 193.5
[M]+ 426.98071 200.2
[M]- 426.98181 200.2
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.