PubChemLite - Imidazole derivative 7 (C26H25Cl2N7O)

Structural Information

Molecular Formula

SMILES

CC1=C(N=C(N1C2=CC=C(C=C2)C#CCN=[N+]=[N-])C3=C(C=C(C=C3)Cl)Cl)C(=O)N(C)N4CCCCC4

InChI

InChI=1S/C26H25Cl2N7O/c1-18-24(26(36)33(2)34-15-4-3-5-16-34)31-25(22-13-10-20(27)17-23(22)28)35(18)21-11-8-19(9-12-21)7-6-14-30-32-29/h8-13,17H,3-5,14-16H2,1-2H3

InChIKey

ZHBIOSWRXRWSAO-UHFFFAOYSA-N

Compound name

1-[4-(3-azidoprop-1-ynyl)phenyl]-2-(2,4-dichlorophenyl)-N,5-dimethyl-N-piperidin-1-ylimidazole-4-carboxamide

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]+	522.15708	236.1
[M+Na]+	544.13902	241.5
[M-H]-	520.14252	241.1
[M+NH4]+	539.18362	238.7
[M+K]+	560.11296	227.2
[M+H-H2O]+	504.14706	219.8
[M+HCOO]-	566.14800	242.4
[M+CH3COO]-	580.16365	249.3
[M+Na-2H]-	542.12447	232.1
[M]+	521.14925	228.8
[M]-	521.15035	228.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

522.15708

236.1

[M+Na]+

544.13902

241.5

[M-H]-

520.14252

241.1

[M+NH4]+

539.18362

238.7

[M+K]+

560.11296

227.2

[M+H-H2O]+

504.14706

219.8

[M+HCOO]-

566.14800

242.4

[M+CH3COO]-

580.16365

249.3

[M+Na-2H]-

542.12447

232.1

[M]+

521.14925

228.8

[M]-

521.15035

228.8

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

Imidazole derivative 7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe