PubChemLite - 1-(2,4-dichlorophenyl)-n-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-yl-ethanimine (C25H21Cl4N5O3)

Structural Information

Molecular Formula

SMILES

C1C(OC(O1)(CN2C=CN=C2)C3=C(C=C(C=C3)Cl)Cl)CO/N=C(\CN4C=CN=C4)/C5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H21Cl4N5O3/c26-17-1-3-20(22(28)9-17)24(11-33-7-5-30-15-33)32-36-13-19-12-35-25(37-19,14-34-8-6-31-16-34)21-4-2-18(27)10-23(21)29/h1-10,15-16,19H,11-14H2/b32-24+

InChIKey

RUFJDHWGJCDQLR-FEZSWGLMSA-N

Compound name

(Z)-1-(2,4-dichlorophenyl)-N-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-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]+	580.04714	229.3
[M+Na]+	602.02908	237.2
[M-H]-	578.03258	238.8
[M+NH4]+	597.07368	233.0
[M+K]+	618.00302	233.2
[M+H-H2O]+	562.03712	216.0
[M+HCOO]-	624.03806	227.9
[M+CH3COO]-	638.05371	234.7
[M+Na-2H]-	600.01453	221.8
[M]+	579.03931	236.8
[M]-	579.04041	236.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

580.04714

229.3

[M+Na]+

602.02908

237.2

[M-H]-

578.03258

238.8

[M+NH4]+

597.07368

233.0

[M+K]+

618.00302

233.2

[M+H-H2O]+

562.03712

216.0

[M+HCOO]-

624.03806

227.9

[M+CH3COO]-

638.05371

234.7

[M+Na-2H]-

600.01453

221.8

[M]+

579.03931

236.8

[M]-

579.04041

236.8

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

1-(2,4-dichlorophenyl)-n-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-2-imidazol-1-yl-ethanimine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe