PubChemLite - Schembl4932604 (C24H28N6)

Structural Information

Molecular Formula

SMILES

CN1C=C(N=C1)CCN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5

InChI

InChI=1S/C24H28N6/c1-28-15-19(26-17-28)12-14-30-21-10-4-3-9-20(21)27-23(30)16-29(2)22-11-5-7-18-8-6-13-25-24(18)22/h3-4,6,8-10,13,15,17,22H,5,7,11-12,14,16H2,1-2H3

InChIKey

FEHKLDRBMKRELY-UHFFFAOYSA-N

Compound name

N-methyl-N-[[1-[2-(1-methylimidazol-4-yl)ethyl]benzimidazol-2-yl]methyl]-5,6,7,8-tetrahydroquinolin-8-amine

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]+	401.24483	198.7
[M+Na]+	423.22677	206.2
[M-H]-	399.23027	205.3
[M+NH4]+	418.27137	208.3
[M+K]+	439.20071	198.8
[M+H-H2O]+	383.23481	185.6
[M+HCOO]-	445.23575	215.1
[M+CH3COO]-	459.25140	206.9
[M+Na-2H]-	421.21222	198.9
[M]+	400.23700	200.7
[M]-	400.23810	200.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

401.24483

198.7

[M+Na]+

423.22677

206.2

[M-H]-

399.23027

205.3

[M+NH4]+

418.27137

208.3

[M+K]+

439.20071

198.8

[M+H-H2O]+

383.23481

185.6

[M+HCOO]-

445.23575

215.1

[M+CH3COO]-

459.25140

206.9

[M+Na-2H]-

421.21222

198.9

[M]+

400.23700

200.7

[M]-

400.23810

200.7

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

Schembl4932604

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe