PubChemLite - 4-mmimpimp (C24H24N8O)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C2=NC3=C(C=C2)NC(=N3)C4=NC5=C(C=C4)NC(=N5)C6=CC=C(C=C6)OC

InChI

InChI=1S/C24H24N8O/c1-31-11-13-32(14-12-31)20-10-9-19-24(28-20)30-23(27-19)18-8-7-17-22(26-18)29-21(25-17)15-3-5-16(33-2)6-4-15/h3-10H,11-14H2,1-2H3,(H,25,26,29)(H,27,28,30)

InChIKey

KHSJTRHHYVRJBO-UHFFFAOYSA-N

Compound name

2-(4-methoxyphenyl)-5-[5-(4-methylpiperazin-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-1H-imidazo[4,5-b]pyridine

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]+	441.21458	207.3
[M+Na]+	463.19652	217.1
[M-H]-	439.20002	210.8
[M+NH4]+	458.24112	209.4
[M+K]+	479.17046	206.1
[M+H-H2O]+	423.20456	193.5
[M+HCOO]-	485.20550	216.1
[M+CH3COO]-	499.22115	213.0
[M+Na-2H]-	461.18197	206.6
[M]+	440.20675	206.2
[M]-	440.20785	206.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

441.21458

207.3

[M+Na]+

463.19652

217.1

[M-H]-

439.20002

210.8

[M+NH4]+

458.24112

209.4

[M+K]+

479.17046

206.1

[M+H-H2O]+

423.20456

193.5

[M+HCOO]-

485.20550

216.1

[M+CH3COO]-

499.22115

213.0

[M+Na-2H]-

461.18197

206.6

[M]+

440.20675

206.2

[M]-

440.20785

206.2

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

4-mmimpimp

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe