PubChemLite - Chembl342752 (C25H28Cl2N4O3)

Structural Information

Molecular Formula

SMILES

C/C(=N\OC(CN1C=CN=C1)C2=C(C=C(C=C2)Cl)Cl)/C3=CC=C(C=C3)OCCN4CCOCC4

InChI

InChI=1S/C25H28Cl2N4O3/c1-19(20-2-5-22(6-3-20)33-15-12-30-10-13-32-14-11-30)29-34-25(17-31-9-8-28-18-31)23-7-4-21(26)16-24(23)27/h2-9,16,18,25H,10-15,17H2,1H3/b29-19+

InChIKey

YTURRWDPRGECNY-VUTHCHCSSA-N

Compound name

(E)-N-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]-1-[4-(2-morpholin-4-ylethoxy)phenyl]ethanimine

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]+	503.16112	218.9
[M+Na]+	525.14306	222.5
[M-H]-	501.14656	227.1
[M+NH4]+	520.18766	222.4
[M+K]+	541.11700	217.1
[M+H-H2O]+	485.15110	205.4
[M+HCOO]-	547.15204	224.8
[M+CH3COO]-	561.16769	224.6
[M+Na-2H]-	523.12851	215.8
[M]+	502.15329	223.0
[M]-	502.15439	223.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

503.16112

218.9

[M+Na]+

525.14306

222.5

[M-H]-

501.14656

227.1

[M+NH4]+

520.18766

222.4

[M+K]+

541.11700

217.1

[M+H-H2O]+

485.15110

205.4

[M+HCOO]-

547.15204

224.8

[M+CH3COO]-

561.16769

224.6

[M+Na-2H]-

523.12851

215.8

[M]+

502.15329

223.0

[M]-

502.15439

223.0

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

Chembl342752

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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