PubChemLite - Bix-01294 (C28H38N6O2)

Structural Information

Molecular Formula

SMILES

CN1CCCN(CC1)C2=NC3=CC(=C(C=C3C(=N2)NC4CCN(CC4)CC5=CC=CC=C5)OC)OC

InChI

InChI=1S/C28H38N6O2/c1-32-12-7-13-34(17-16-32)28-30-24-19-26(36-3)25(35-2)18-23(24)27(31-28)29-22-10-14-33(15-11-22)20-21-8-5-4-6-9-21/h4-6,8-9,18-19,22H,7,10-17,20H2,1-3H3,(H,29,30,31)

InChIKey

OSXFATOLZGZLSK-UHFFFAOYSA-N

Compound name

N-(1-benzylpiperidin-4-yl)-6,7-dimethoxy-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-4-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]+	491.31291	230.8
[M+Na]+	513.29485	242.3
[M+NH4]+	508.33945	235.3
[M+K]+	529.26879	234.6
[M-H]-	489.29835	236.5
[M+Na-2H]-	511.28030	236.4
[M]+	490.30508	234.0
[M]-	490.30618	234.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.31291

230.8

[M+Na]+

513.29485

242.3

[M+NH4]+

508.33945

235.3

[M+K]+

529.26879

234.6

[M-H]-

489.29835

236.5

[M+Na-2H]-

511.28030

236.4

[M]+

490.30508

234.0

[M]-

490.30618

234.0

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

Bix-01294

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe