PubChemLite - Ethanone, 1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)-, o-[[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]oxime, (1z)- (C22H20Cl3N3O3)

Structural Information

Molecular Formula

SMILES

CC1(OCC(O1)CO/N=C(\CN2C=CN=C2)/C3=C(C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H20Cl3N3O3/c1-22(15-2-4-16(23)5-3-15)29-12-18(31-22)13-30-27-21(11-28-9-8-26-14-28)19-7-6-17(24)10-20(19)25/h2-10,14,18H,11-13H2,1H3/b27-21+

InChIKey

CHLKAUVCCHRUNI-SZXQPVLSSA-N

Compound name

(Z)-N-[[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methoxy]-1-(2,4-dichlorophenyl)-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]+	480.06432	212.5
[M+Na]+	502.04626	220.6
[M-H]-	478.04976	223.0
[M+NH4]+	497.09086	221.6
[M+K]+	518.02020	216.1
[M+H-H2O]+	462.05430	202.5
[M+HCOO]-	524.05524	217.5
[M+CH3COO]-	538.07089	220.7
[M+Na-2H]-	500.03171	209.4
[M]+	479.05649	219.4
[M]-	479.05759	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.06432

212.5

[M+Na]+

502.04626

220.6

[M-H]-

478.04976

223.0

[M+NH4]+

497.09086

221.6

[M+K]+

518.02020

216.1

[M+H-H2O]+

462.05430

202.5

[M+HCOO]-

524.05524

217.5

[M+CH3COO]-

538.07089

220.7

[M+Na-2H]-

500.03171

209.4

[M]+

479.05649

219.4

[M]-

479.05759

219.4

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

Ethanone, 1-(2,4-dichlorophenyl)-2-(1h-imidazol-1-yl)-, o-[[2-(4-chlorophenyl)-2-methyl-1,3-dioxolan-4-yl]methyl]oxime, (1z)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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