PubChemLite - Chembl344286 (C22H17Cl4N5O)

Structural Information

Molecular Formula

SMILES

C1=CC(=C(C=C1Cl)Cl)C(CN2C=CN=C2)O/N=C(\CN3C=CN=C3)/C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl4N5O/c23-15-1-3-17(19(25)9-15)21(11-30-7-5-27-13-30)29-32-22(12-31-8-6-28-14-31)18-4-2-16(24)10-20(18)26/h1-10,13-14,22H,11-12H2/b29-21+

InChIKey

MCLUDIMDSXHBFH-XHLNEMQHSA-N

Compound name

(Z)-1-(2,4-dichlorophenyl)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]-2-imidazol-1-ylethanimine

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	508.02598	212.1
[M+Na]+	530.00792	220.6
[M-H]-	506.01142	217.3
[M+NH4]+	525.05252	217.9
[M+K]+	545.98186	213.3
[M+H-H2O]+	490.01596	198.5
[M+HCOO]-	552.01690	212.9
[M+CH3COO]-	566.03255	218.2
[M+Na-2H]-	527.99337	207.7
[M]+	507.01815	218.3
[M]-	507.01925	218.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

508.02598

212.1

[M+Na]+

530.00792

220.6

[M-H]-

506.01142

217.3

[M+NH4]+

525.05252

217.9

[M+K]+

545.98186

213.3

[M+H-H2O]+

490.01596

198.5

[M+HCOO]-

552.01690

212.9

[M+CH3COO]-

566.03255

218.2

[M+Na-2H]-

527.99337

207.7

[M]+

507.01815

218.3

[M]-

507.01925

218.3

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Chembl344286

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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