CID 9579035

Chembl144237

Structural Information

Molecular Formula
C21H19Cl4N3O
SMILES
CCC/C(=N\OC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C3=C(C=C(C=C3)Cl)Cl
InChI
InChI=1S/C21H19Cl4N3O/c1-2-3-20(16-6-4-14(22)10-18(16)24)27-29-21(12-28-9-8-26-13-28)17-7-5-15(23)11-19(17)25/h4-11,13,21H,2-3,12H2,1H3/b27-20+
InChIKey
BKGHGYZQBDOCRX-NHFJDJAPSA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]butan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

469.02823 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.03551 206.6
[M+Na]+ 492.01745 214.3
[M-H]- 468.02095 210.6
[M+NH4]+ 487.06205 215.3
[M+K]+ 507.99139 206.7
[M+H-H2O]+ 452.02549 196.5
[M+HCOO]- 514.02643 207.5
[M+CH3COO]- 528.04208 213.3
[M+Na-2H]- 490.00290 202.5
[M]+ 469.02768 212.1
[M]- 469.02878 212.1
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.