PubChemLite - Schembl4934665 (C26H36N6)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)CCCN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5

InChI

InChI=1S/C26H36N6/c1-29-16-18-31(19-17-29)14-7-15-32-23-11-4-3-10-22(23)28-25(32)20-30(2)24-12-5-8-21-9-6-13-27-26(21)24/h3-4,6,9-11,13,24H,5,7-8,12,14-20H2,1-2H3

InChIKey

CIPHJLFMKDPVDS-UHFFFAOYSA-N

Compound name

N-methyl-N-[[1-[3-(4-methylpiperazin-1-yl)propyl]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]+	433.30742	210.2
[M+Na]+	455.28936	213.8
[M-H]-	431.29286	214.3
[M+NH4]+	450.33396	216.1
[M+K]+	471.26330	205.9
[M+H-H2O]+	415.29740	195.2
[M+HCOO]-	477.29834	220.5
[M+CH3COO]-	491.31399	215.4
[M+Na-2H]-	453.27481	209.6
[M]+	432.29959	207.3
[M]-	432.30069	207.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

433.30742

210.2

[M+Na]+

455.28936

213.8

[M-H]-

431.29286

214.3

[M+NH4]+

450.33396

216.1

[M+K]+

471.26330

205.9

[M+H-H2O]+

415.29740

195.2

[M+HCOO]-

477.29834

220.5

[M+CH3COO]-

491.31399

215.4

[M+Na-2H]-

453.27481

209.6

[M]+

432.29959

207.3

[M]-

432.30069

207.3

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

Schembl4934665

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe