PubChemLite - Schembl4939521 (C23H30N6O)

Structural Information

Molecular Formula

SMILES

CN(CC1=NC2=CC=CC=C2N1CC(=O)NCCCN)C3CCCC4=C3N=CC=C4

InChI

InChI=1S/C23H30N6O/c1-28(20-11-4-7-17-8-5-13-26-23(17)20)15-21-27-18-9-2-3-10-19(18)29(21)16-22(30)25-14-6-12-24/h2-3,5,8-10,13,20H,4,6-7,11-12,14-16,24H2,1H3,(H,25,30)

InChIKey

MSJYCFPYFXRWOZ-UHFFFAOYSA-N

Compound name

N-(3-aminopropyl)-2-[2-[[methyl(5,6,7,8-tetrahydroquinolin-8-yl)amino]methyl]benzimidazol-1-yl]acetamide

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]+	407.25538	196.8
[M+Na]+	429.23732	200.8
[M-H]-	405.24082	201.3
[M+NH4]+	424.28192	206.3
[M+K]+	445.21126	195.2
[M+H-H2O]+	389.24536	185.0
[M+HCOO]-	451.24630	215.2
[M+CH3COO]-	465.26195	204.2
[M+Na-2H]-	427.22277	199.9
[M]+	406.24755	196.8
[M]-	406.24865	196.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

407.25538

196.8

[M+Na]+

429.23732

200.8

[M-H]-

405.24082

201.3

[M+NH4]+

424.28192

206.3

[M+K]+

445.21126

195.2

[M+H-H2O]+

389.24536

185.0

[M+HCOO]-

451.24630

215.2

[M+CH3COO]-

465.26195

204.2

[M+Na-2H]-

427.22277

199.9

[M]+

406.24755

196.8

[M]-

406.24865

196.8

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

Schembl4939521

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe