CID 9579034

Chembl147667

Structural Information

Molecular Formula
C20H17Cl4N3O
SMILES
CC/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/C20H17Cl4N3O/c1-2-19(15-5-3-13(21)9-17(15)23)26-28-20(11-27-8-7-25-12-27)16-6-4-14(22)10-18(16)24/h3-10,12,20H,2,11H2,1H3/b26-19+
InChIKey
XSYRVHHGQOZXLI-LGUFXXKBSA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]propan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

455.01257 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.01985 202.4
[M+Na]+ 478.00179 210.5
[M-H]- 454.00529 206.6
[M+NH4]+ 473.04639 211.6
[M+K]+ 493.97573 203.2
[M+H-H2O]+ 438.00983 192.5
[M+HCOO]- 500.01077 203.7
[M+CH3COO]- 514.02642 209.5
[M+Na-2H]- 475.98724 198.7
[M]+ 455.01202 207.6
[M]- 455.01312 207.6
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.