CID 9579033

Chembl146732

Structural Information

Molecular Formula
C19H15Cl4N3O
SMILES
C/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/C19H15Cl4N3O/c1-12(15-4-2-13(20)8-17(15)22)25-27-19(10-26-7-6-24-11-26)16-5-3-14(21)9-18(16)23/h2-9,11,19H,10H2,1H3/b25-12+
InChIKey
NHDOCTZGEPVVGC-BRJLIKDPSA-N
Compound name
(E)-1-(2,4-dichlorophenyl)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

440.99692 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.00420 198.1
[M+Na]+ 463.98614 206.7
[M-H]- 439.98964 202.5
[M+NH4]+ 459.03074 207.9
[M+K]+ 479.96008 199.6
[M+H-H2O]+ 423.99418 188.5
[M+HCOO]- 485.99512 199.7
[M+CH3COO]- 500.01077 205.7
[M+Na-2H]- 461.97159 195.0
[M]+ 440.99637 203.1
[M]- 440.99747 203.1
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.