PubChemLite - Chembl144461 (C24H26F2N4O3)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H26F2N4O3/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

IXOVYPJKUHPPAF-LQKURTRISA-N

Compound name

(E)-N-[1-(2,4-difluorophenyl)-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]+	457.20458	208.3
[M+Na]+	479.18652	211.8
[M-H]-	455.19002	214.9
[M+NH4]+	474.23112	212.0
[M+K]+	495.16046	207.0
[M+H-H2O]+	439.19456	192.8
[M+HCOO]-	501.19550	223.2
[M+CH3COO]-	515.21115	214.6
[M+Na-2H]-	477.17197	206.8
[M]+	456.19675	206.9
[M]-	456.19785	206.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

457.20458

208.3

[M+Na]+

479.18652

211.8

[M-H]-

455.19002

214.9

[M+NH4]+

474.23112

212.0

[M+K]+

495.16046

207.0

[M+H-H2O]+

439.19456

192.8

[M+HCOO]-

501.19550

223.2

[M+CH3COO]-

515.21115

214.6

[M+Na-2H]-

477.17197

206.8

[M]+

456.19675

206.9

[M]-

456.19785

206.9

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

Chembl144461

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe