PubChemLite - Schembl4938094 (C26H35N5)

Structural Information

Molecular Formula

SMILES

CN1CCCCC1CCN2C3=CC=CC=C3N=C2CN(C)C4CCCC5=C4N=CC=C5

InChI

InChI=1S/C26H35N5/c1-29-17-6-5-11-21(29)15-18-31-23-13-4-3-12-22(23)28-25(31)19-30(2)24-14-7-9-20-10-8-16-27-26(20)24/h3-4,8,10,12-13,16,21,24H,5-7,9,11,14-15,17-19H2,1-2H3

InChIKey

SAIRRLKOMQEJAC-UHFFFAOYSA-N

Compound name

N-methyl-N-[[1-[2-(1-methylpiperidin-2-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]+	418.29653	206.0
[M+Na]+	440.27847	209.6
[M-H]-	416.28197	211.5
[M+NH4]+	435.32307	213.9
[M+K]+	456.25241	202.0
[M+H-H2O]+	400.28651	191.8
[M+HCOO]-	462.28745	217.7
[M+CH3COO]-	476.30310	212.0
[M+Na-2H]-	438.26392	205.3
[M]+	417.28870	202.6
[M]-	417.28980	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

418.29653

206.0

[M+Na]+

440.27847

209.6

[M-H]-

416.28197

211.5

[M+NH4]+

435.32307

213.9

[M+K]+

456.25241

202.0

[M+H-H2O]+

400.28651

191.8

[M+HCOO]-

462.28745

217.7

[M+CH3COO]-

476.30310

212.0

[M+Na-2H]-

438.26392

205.3

[M]+

417.28870

202.6

[M]-

417.28980

202.6

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

Schembl4938094

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe