PubChemLite - Tacrine(8)-4-aminoquinoline (C30H36N4)

Structural Information

Molecular Formula

SMILES

C1CCC2=NC3=CC=CC=C3C(=C2C1)NCCCCCCCCNC4=CC=NC5=CC=CC=C54

InChI

InChI=1S/C30H36N4/c1(3-11-20-31-27-19-22-32-26-16-8-5-13-23(26)27)2-4-12-21-33-30-24-14-6-9-17-28(24)34-29-18-10-7-15-25(29)30/h5-6,8-9,13-14,16-17,19,22H,1-4,7,10-12,15,18,20-21H2,(H,31,32)(H,33,34)

InChIKey

UNVOAAWEEGAXTN-UHFFFAOYSA-N

Compound name

N-quinolin-4-yl-N'-(1,2,3,4-tetrahydroacridin-9-yl)octane-1,8-diamine

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]+	453.30128	209.5
[M+Na]+	475.28322	212.4
[M-H]-	451.28672	213.2
[M+NH4]+	470.32782	216.8
[M+K]+	491.25716	202.7
[M+H-H2O]+	435.29126	195.7
[M+HCOO]-	497.29220	224.7
[M+CH3COO]-	511.30785	214.9
[M+Na-2H]-	473.26867	216.3
[M]+	452.29345	208.6
[M]-	452.29455	208.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.30128

209.5

[M+Na]+

475.28322

212.4

[M-H]-

451.28672

213.2

[M+NH4]+

470.32782

216.8

[M+K]+

491.25716

202.7

[M+H-H2O]+

435.29126

195.7

[M+HCOO]-

497.29220

224.7

[M+CH3COO]-

511.30785

214.9

[M+Na-2H]-

473.26867

216.3

[M]+

452.29345

208.6

[M]-

452.29455

208.6

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

Tacrine(8)-4-aminoquinoline

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe