PubChemLite - Bcl-2 inhibitor pdf (C35H40N8O5)

Structural Information

Molecular Formula

SMILES

CN(C)CCOC1=CC(=NC2=CC=CC=C21)NC(=O)C3=CC(=CC(=N3)C(=O)NC4=NC5=CC=CC=C5C(=C4)OCCN(C)C)OCCN

InChI

InChI=1S/C35H40N8O5/c1-42(2)14-17-47-30-21-32(38-26-11-7-5-9-24(26)30)40-34(44)28-19-23(46-16-13-36)20-29(37-28)35(45)41-33-22-31(48-18-15-43(3)4)25-10-6-8-12-27(25)39-33/h5-12,19-22H,13-18,36H2,1-4H3,(H,38,40,44)(H,39,41,45)

InChIKey

HKYSQNSSWMSNTN-UHFFFAOYSA-N

Compound name

4-(2-aminoethoxy)-2-N,6-N-bis[4-[2-(dimethylamino)ethoxy]quinolin-2-yl]pyridine-2,6-dicarboxamide

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]+	653.31948	257.5
[M+Na]+	675.30142	268.5
[M+NH4]+	670.34602	259.6
[M+K]+	691.27536	261.9
[M-H]-	651.30492	264.6
[M+Na-2H]-	673.28687	264.0
[M]+	652.31165	260.7
[M]-	652.31275	260.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

653.31948

257.5

[M+Na]+

675.30142

268.5

[M+NH4]+

670.34602

259.6

[M+K]+

691.27536

261.9

[M-H]-

651.30492

264.6

[M+Na-2H]-

673.28687

264.0

[M]+

652.31165

260.7

[M]-

652.31275

260.7

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

Bcl-2 inhibitor pdf

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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