PubChemLite - Chembl144615 (C24H26Cl2N4O3)

Structural Information

Molecular Formula

SMILES

C1COCCN1CCOC2=CC=C(C=C2)/C=N/OC(CN3C=CN=C3)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C24H26Cl2N4O3/c25-20-3-6-22(23(26)15-20)24(17-30-8-7-27-18-30)33-28-16-19-1-4-21(5-2-19)32-14-11-29-9-12-31-13-10-29/h1-8,15-16,18,24H,9-14,17H2/b28-16+

InChIKey

PQRODDVLDCNIHF-LQKURTRISA-N

Compound name

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

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]+	489.14546	215.3
[M+Na]+	511.12740	219.6
[M-H]-	487.13090	223.4
[M+NH4]+	506.17200	219.3
[M+K]+	527.10134	213.8
[M+H-H2O]+	471.13544	201.6
[M+HCOO]-	533.13638	222.4
[M+CH3COO]-	547.15203	221.5
[M+Na-2H]-	509.11285	213.6
[M]+	488.13763	219.4
[M]-	488.13873	219.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

489.14546

215.3

[M+Na]+

511.12740

219.6

[M-H]-

487.13090

223.4

[M+NH4]+

506.17200

219.3

[M+K]+

527.10134

213.8

[M+H-H2O]+

471.13544

201.6

[M+HCOO]-

533.13638

222.4

[M+CH3COO]-

547.15203

221.5

[M+Na-2H]-

509.11285

213.6

[M]+

488.13763

219.4

[M]-

488.13873

219.4

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

Chembl144615

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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